N-(3-cyanophenyl)-N,2-dimethylpyrazole-3-carboxamide

C13H12N4O — CID 55153792

IUPACN-(3-cyanophenyl)-N,2-dimethylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccnn1C)c1cccc(C#N)c1
InChIInChI=1S/C13H12N4O/c1-16(11-5-3-4-10(8-11)9-14)13(18)12-6-7-15-17(12)2/h3-8H,1-2H3
InChIKeyYCYGMBPXSXOXBP-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.57
Rot. Bonds2

About N-(3-cyanophenyl)-N,2-dimethylpyrazole-3-carboxamide

N-(3-cyanophenyl)-N,2-dimethylpyrazole-3-carboxamide (PubChem CID 55153792) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N,2-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N,2-dimethylpyrazole-3-carboxamide
PubChem CID55153792
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-(3-cyanophenyl)-N,2-dimethylpyrazole-3-carboxamide
SMILESCN(C(=O)c1ccnn1C)c1cccc(C#N)c1
InChIInChI=1S/C13H12N4O/c1-16(11-5-3-4-10(8-11)9-14)13(18)12-6-7-15-17(12)2/h3-8H,1-2H3
InChIKeyYCYGMBPXSXOXBP-UHFFFAOYSA-N
XLogP1.57
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-N-phenylpyrazole-3-carboxamide
CID 110467101
4-amino-N-(3-cyanophenyl)-N,1-dimethylpyrrole-2-carboxamide
CID 62981947
5-amino-N-(3-cyanophenyl)-N,1-dimethylpyrazole-4-carboxamide
CID 115330802
N-(3-cyanophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79479305
N-(3-cyanophenyl)-N,2-dimethylpyridine-4-carboxamide
CID 106752946
6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide
CID 103874290
N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide
CID 55209867
3-[(3-cyanophenyl)-methylcarbamoyl]benzoic acid
CID 62981166
3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide
CID 62983145
3-[methyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]benzonitrile
CID 103002508
N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 47407929
3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 47407969

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N,2-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-N,2-dimethylpyrazole-3-carboxamide (CID 55153792) is N-(3-cyanophenyl)-N,2-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-N,2-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-N,2-dimethylpyrazole-3-carboxamide is CN(C(=O)c1ccnn1C)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-N,2-dimethylpyrazole-3-carboxamide?
The InChIKey is YCYGMBPXSXOXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-16(11-5-3-4-10(8-11)9-14)13(18)12-6-7-15-17(12)2/h3-8H,1-2H3.
What are the key properties of N-(3-cyanophenyl)-N,2-dimethylpyrazole-3-carboxamide?
N-(3-cyanophenyl)-N,2-dimethylpyrazole-3-carboxamide has a molecular weight of 240.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N,2-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 55153792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).