N-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide

C8H10N4O — CID 130678636

IUPACN-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide
SMILESC[C@H](C#N)NC(=O)c1ccnn1C
InChIInChI=1S/C8H10N4O/c1-6(5-9)11-8(13)7-3-4-10-12(7)2/h3-4,6H,1-2H3,(H,11,13)/t6-/m1/s1
InChIKeyJBIKRHILYCNYOE-ZCFIWIBFSA-N
MW178.19 g/mol
LogP0.06
Rot. Bonds2

About N-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide

N-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 130678636) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is N-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide
PubChem CID130678636
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC NameN-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide
SMILESC[C@H](C#N)NC(=O)c1ccnn1C
InChIInChI=1S/C8H10N4O/c1-6(5-9)11-8(13)7-3-4-10-12(7)2/h3-4,6H,1-2H3,(H,11,13)/t6-/m1/s1
InChIKeyJBIKRHILYCNYOE-ZCFIWIBFSA-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

2-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610
(2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 78972778
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
N-(1-cyanoethyl)-1-methylpyrazole-4-carboxamide
CID 61120053
2-methyl-4-(2-methylpyrazol-3-yl)-4-oxobutanenitrile
CID 114554017
N-(1-bromo-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 114311618
N-(1-hydroxy-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 61246953
(2S)-3,3-dimethyl-2-[(2-methylpyrazole-3-carbonyl)amino]butanoic acid
CID 61143265
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 146083478
N-(1-amino-4-methylpentan-2-yl)-2-methylpyrazole-3-carboxamide
CID 63754352
N-[1-(2-aminophenyl)ethyl]-2-methylpyrazole-3-carboxamide
CID 62920120
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methylpyrazole-3-carboxamide
CID 77039413

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide (CID 130678636) is N-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide is C[C@H](C#N)NC(=O)c1ccnn1C.
What is the InChIKey of N-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is JBIKRHILYCNYOE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H10N4O/c1-6(5-9)11-8(13)7-3-4-10-12(7)2/h3-4,6H,1-2H3,(H,11,13)/t6-/m1/s1.
What are the key properties of N-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide?
N-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-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-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 130678636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).