N-(cyanomethyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide

C8H10N4O — CID 62735140

IUPACN-(cyanomethyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N(C)CC#N
InChIInChI=1S/C8H10N4O/c1-6-7(5-10-11-6)8(13)12(2)4-3-9/h5H,4H2,1-2H3,(H,10,11)
InChIKeySOURADAZKDRVDS-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.31
Rot. Bonds2

About N-(cyanomethyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide

N-(cyanomethyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 62735140) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is N-(cyanomethyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID62735140
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC NameN-(cyanomethyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N(C)CC#N
InChIInChI=1S/C8H10N4O/c1-6-7(5-10-11-6)8(13)12(2)4-3-9/h5H,4H2,1-2H3,(H,10,11)
InChIKeySOURADAZKDRVDS-UHFFFAOYSA-N
XLogP0.31
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(cyanomethyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-aminopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide
CID 107206762
N-(5-bromopentyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide
CID 107206235
4-chloro-N-(cyanomethyl)-N,6-dimethylpyridine-3-carboxamide
CID 103817245
N-(cyanomethyl)-N,1,3-trimethylpyrazole-4-carboxamide
CID 103662448
N,5-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119454691
methyl 2-[(2-methoxy-2-oxoethyl)-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetate
CID 63997835
2-chloro-N-(cyanomethyl)-5-fluoro-N-methylpyridine-3-carboxamide
CID 103892317
2-[tert-butyl-(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid
CID 79266093
N,5-dimethyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-4-carboxamide
CID 28769271
N-ethyl-5-methyl-N-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 63998232
N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 79080022
N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 65110977

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(cyanomethyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide (CID 62735140) is N-(cyanomethyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)N(C)CC#N.
What is the InChIKey of N-(cyanomethyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is SOURADAZKDRVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-6-7(5-10-11-6)8(13)12(2)4-3-9/h5H,4H2,1-2H3,(H,10,11).
What are the key properties of N-(cyanomethyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(cyanomethyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 178.19 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 62735140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).