N-(1-cyanoethyl)-1-methylpyrazole-4-carboxamide

C8H10N4O — CID 61120053

IUPACN-(1-cyanoethyl)-1-methylpyrazole-4-carboxamide
SMILESCC(C#N)NC(=O)c1cnn(C)c1
InChIInChI=1S/C8H10N4O/c1-6(3-9)11-8(13)7-4-10-12(2)5-7/h4-6H,1-2H3,(H,11,13)
InChIKeyPFVUJMNYGADZMT-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.06
Rot. Bonds2

About N-(1-cyanoethyl)-1-methylpyrazole-4-carboxamide

N-(1-cyanoethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 61120053) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is N-(1-cyanoethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanoethyl)-1-methylpyrazole-4-carboxamide
PubChem CID61120053
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC NameN-(1-cyanoethyl)-1-methylpyrazole-4-carboxamide
SMILESCC(C#N)NC(=O)c1cnn(C)c1
InChIInChI=1S/C8H10N4O/c1-6(3-9)11-8(13)7-4-10-12(2)5-7/h4-6H,1-2H3,(H,11,13)
InChIKeyPFVUJMNYGADZMT-UHFFFAOYSA-N
XLogP0.06
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyano(cyclopropyl)methyl]-1-methylpyrazole-4-carboxamide
CID 63823243
1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen
CID 169175366
(2S)-3-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 28742450
N-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide
CID 114299684
N-(1-cyanoethyl)pyrimidine-5-carboxamide
CID 104626690
1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide
CID 86915318
N-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide
CID 130678636
N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide
CID 61247345
(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 28742395
(2S)-3,3-dimethyl-2-[(1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 61143521
N,1-di(propan-2-yl)pyrazole-4-carboxamide
CID 177272297
N-(1-cyanoethyl)-6-methylpyridine-3-carboxamide
CID 61121839

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanoethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1-cyanoethyl)-1-methylpyrazole-4-carboxamide (CID 61120053) is N-(1-cyanoethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-cyanoethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-cyanoethyl)-1-methylpyrazole-4-carboxamide is CC(C#N)NC(=O)c1cnn(C)c1.
What is the InChIKey of N-(1-cyanoethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is PFVUJMNYGADZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-6(3-9)11-8(13)7-4-10-12(2)5-7/h4-6H,1-2H3,(H,11,13).
What are the key properties of N-(1-cyanoethyl)-1-methylpyrazole-4-carboxamide?
N-(1-cyanoethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 178.19 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanoethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 61120053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).