N-[4-(4-cyano-3,5-dimethylpyrazol-1-yl)phenyl]formamide

C13H12N4O — CID 12522117

IUPACN-[4-(4-cyano-3,5-dimethylpyrazol-1-yl)phenyl]formamide
SMILESCc1nn(-c2ccc(NC=O)cc2)c(C)c1C#N
InChIInChI=1S/C13H12N4O/c1-9-13(7-14)10(2)17(16-9)12-5-3-11(4-6-12)15-8-18/h3-6,8H,1-2H3,(H,15,18)
InChIKeyYKHOVRFMBWJGAY-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.93
Rot. Bonds3

About N-[4-(4-cyano-3,5-dimethylpyrazol-1-yl)phenyl]formamide

N-[4-(4-cyano-3,5-dimethylpyrazol-1-yl)phenyl]formamide (PubChem CID 12522117) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-[4-(4-cyano-3,5-dimethylpyrazol-1-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(4-cyano-3,5-dimethylpyrazol-1-yl)phenyl]formamide
PubChem CID12522117
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-[4-(4-cyano-3,5-dimethylpyrazol-1-yl)phenyl]formamide
SMILESCc1nn(-c2ccc(NC=O)cc2)c(C)c1C#N
InChIInChI=1S/C13H12N4O/c1-9-13(7-14)10(2)17(16-9)12-5-3-11(4-6-12)15-8-18/h3-6,8H,1-2H3,(H,15,18)
InChIKeyYKHOVRFMBWJGAY-UHFFFAOYSA-N
XLogP1.93
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.93
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)-3,5-dimethylpyrazole-4-carbonitrile
CID 39375121
3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazole-4-carbonitrile
CID 82044392
N-[4-(4-cyano-3-methylpyrazol-1-yl)phenyl]formamide
CID 12522114
N-[4-[3-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]phenyl]formamide
CID 19886103
5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carbonitrile
CID 16767663
1-(2,5-dimethylphenyl)-3,5-dimethylpyrazole-4-carbonitrile
CID 39246638
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide
CID 26289954
4-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 31658750
5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile
CID 63787921
1-(2,5-dichlorophenyl)-3,5-dimethylpyrazole-4-carbonitrile
CID 39365306
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 38979073
4-(5-chloro-4-formyl-3-methylpyrazol-1-yl)benzonitrile
CID 43259460

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyano-3,5-dimethylpyrazol-1-yl)phenyl]formamide?
The IUPAC name of N-[4-(4-cyano-3,5-dimethylpyrazol-1-yl)phenyl]formamide (CID 12522117) is N-[4-(4-cyano-3,5-dimethylpyrazol-1-yl)phenyl]formamide.
What is the SMILES notation for N-[4-(4-cyano-3,5-dimethylpyrazol-1-yl)phenyl]formamide?
The canonical SMILES for N-[4-(4-cyano-3,5-dimethylpyrazol-1-yl)phenyl]formamide is Cc1nn(-c2ccc(NC=O)cc2)c(C)c1C#N.
What is the InChIKey of N-[4-(4-cyano-3,5-dimethylpyrazol-1-yl)phenyl]formamide?
The InChIKey is YKHOVRFMBWJGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-9-13(7-14)10(2)17(16-9)12-5-3-11(4-6-12)15-8-18/h3-6,8H,1-2H3,(H,15,18).
What are the key properties of N-[4-(4-cyano-3,5-dimethylpyrazol-1-yl)phenyl]formamide?
N-[4-(4-cyano-3,5-dimethylpyrazol-1-yl)phenyl]formamide has a molecular weight of 240.27 g/mol, XLogP of 1.93, 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-3,5-dimethylpyrazol-1-yl)phenyl]formamide is sourced from PubChem (CID 12522117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).