N-[4-(4-cyano-3-methylpyrazol-1-yl)phenyl]formamide

C12H10N4O — CID 12522114

IUPACN-[4-(4-cyano-3-methylpyrazol-1-yl)phenyl]formamide
SMILESCc1nn(-c2ccc(NC=O)cc2)cc1C#N
InChIInChI=1S/C12H10N4O/c1-9-10(6-13)7-16(15-9)12-4-2-11(3-5-12)14-8-17/h2-5,7-8H,1H3,(H,14,17)
InChIKeyDMKWBBZVRFBNEK-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.62
Rot. Bonds3

About N-[4-(4-cyano-3-methylpyrazol-1-yl)phenyl]formamide

N-[4-(4-cyano-3-methylpyrazol-1-yl)phenyl]formamide (PubChem CID 12522114) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-[4-(4-cyano-3-methylpyrazol-1-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(4-cyano-3-methylpyrazol-1-yl)phenyl]formamide
PubChem CID12522114
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC NameN-[4-(4-cyano-3-methylpyrazol-1-yl)phenyl]formamide
SMILESCc1nn(-c2ccc(NC=O)cc2)cc1C#N
InChIInChI=1S/C12H10N4O/c1-9-10(6-13)7-16(15-9)12-4-2-11(3-5-12)14-8-17/h2-5,7-8H,1H3,(H,14,17)
InChIKeyDMKWBBZVRFBNEK-UHFFFAOYSA-N
XLogP1.62
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-methylpyrazole-4-carbonitrile
CID 72545295
N-[4-(4-cyano-3,5-dimethylpyrazol-1-yl)phenyl]formamide
CID 12522117
N-[4-(tetrazol-1-yl)phenyl]formamide
CID 64992133
N-[4-(4-bromopyrazol-1-yl)phenyl]formamide
CID 168652639
N-[4-(4-chloropyrazol-1-yl)phenyl]formamide
CID 168653170
3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile
CID 165493587
ethane;N-(4-methylphenyl)formamide
CID 142066401
4-[4-cyano-3-(4-methylphenyl)pyrazol-1-yl]benzoic acid
CID 58003616
3-(4-bromophenyl)-1-(4-methylphenyl)pyrazole-4-carbonitrile
CID 42624862
3-anilino-1-phenylpyrazole-4-carbonitrile
CID 67254303
N-[4-[3-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]phenyl]formamide
CID 19886103
N-[3-cyano-4-(2-methylpropyl)phenyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 22228075

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyano-3-methylpyrazol-1-yl)phenyl]formamide?
The IUPAC name of N-[4-(4-cyano-3-methylpyrazol-1-yl)phenyl]formamide (CID 12522114) is N-[4-(4-cyano-3-methylpyrazol-1-yl)phenyl]formamide.
What is the SMILES notation for N-[4-(4-cyano-3-methylpyrazol-1-yl)phenyl]formamide?
The canonical SMILES for N-[4-(4-cyano-3-methylpyrazol-1-yl)phenyl]formamide is Cc1nn(-c2ccc(NC=O)cc2)cc1C#N.
What is the InChIKey of N-[4-(4-cyano-3-methylpyrazol-1-yl)phenyl]formamide?
The InChIKey is DMKWBBZVRFBNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-9-10(6-13)7-16(15-9)12-4-2-11(3-5-12)14-8-17/h2-5,7-8H,1H3,(H,14,17).
What are the key properties of N-[4-(4-cyano-3-methylpyrazol-1-yl)phenyl]formamide?
N-[4-(4-cyano-3-methylpyrazol-1-yl)phenyl]formamide has a molecular weight of 226.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyano-3-methylpyrazol-1-yl)phenyl]formamide is sourced from PubChem (CID 12522114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).