General Information of the Compound
Compound ID
CP0213961
Compound Name
6-ethyl-7-methoxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
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Structure
Formula
C11H12N4O
Molecular Weight
216.244
Canonical SMILES
CCc1c(C)nc2c(cnn2c1OC)C#N
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InChI
InChI=1S/C11H12N4O/c1-4-9-7(2)14-10-8(5-12)6-13-15(10)11(9)16-3/h6H,4H2,1-3H3
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InChIKey
NIROIUUITQXVHP-UHFFFAOYSA-N
Physicochemical Property
logP
1.4804
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
63.21
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
16

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 78426128
ChEMBL ID
CHEMBL3786528