4-(5-amino-4-hydroxy-1-methylpyrazol-3-yl)benzonitrile

C11H10N4O — CID 134439924

IUPAC4-(5-amino-4-hydroxy-1-methylpyrazol-3-yl)benzonitrile
SMILESCn1nc(-c2ccc(C#N)cc2)c(O)c1N
InChIInChI=1S/C11H10N4O/c1-15-11(13)10(16)9(14-15)8-4-2-7(6-12)3-5-8/h2-5,16H,13H2,1H3
InChIKeyMPBDFUNSTSZVHR-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.25
Rot. Bonds1

About 4-(5-amino-4-hydroxy-1-methylpyrazol-3-yl)benzonitrile

4-(5-amino-4-hydroxy-1-methylpyrazol-3-yl)benzonitrile (PubChem CID 134439924) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 4-(5-amino-4-hydroxy-1-methylpyrazol-3-yl)benzonitrile.

Molecular Properties

Compound Name4-(5-amino-4-hydroxy-1-methylpyrazol-3-yl)benzonitrile
PubChem CID134439924
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name4-(5-amino-4-hydroxy-1-methylpyrazol-3-yl)benzonitrile
SMILESCn1nc(-c2ccc(C#N)cc2)c(O)c1N
InChIInChI=1S/C11H10N4O/c1-15-11(13)10(16)9(14-15)8-4-2-7(6-12)3-5-8/h2-5,16H,13H2,1H3
InChIKeyMPBDFUNSTSZVHR-UHFFFAOYSA-N
XLogP1.25
TPSA87.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-4-hydroxy-1-methylpyrazol-3-yl)benzonitrile?
The IUPAC name of 4-(5-amino-4-hydroxy-1-methylpyrazol-3-yl)benzonitrile (CID 134439924) is 4-(5-amino-4-hydroxy-1-methylpyrazol-3-yl)benzonitrile.
What is the SMILES notation for 4-(5-amino-4-hydroxy-1-methylpyrazol-3-yl)benzonitrile?
The canonical SMILES for 4-(5-amino-4-hydroxy-1-methylpyrazol-3-yl)benzonitrile is Cn1nc(-c2ccc(C#N)cc2)c(O)c1N.
What is the InChIKey of 4-(5-amino-4-hydroxy-1-methylpyrazol-3-yl)benzonitrile?
The InChIKey is MPBDFUNSTSZVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-15-11(13)10(16)9(14-15)8-4-2-7(6-12)3-5-8/h2-5,16H,13H2,1H3.
What are the key properties of 4-(5-amino-4-hydroxy-1-methylpyrazol-3-yl)benzonitrile?
4-(5-amino-4-hydroxy-1-methylpyrazol-3-yl)benzonitrile has a molecular weight of 214.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-4-hydroxy-1-methylpyrazol-3-yl)benzonitrile is sourced from PubChem (CID 134439924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).