N-[(1-ethylcyclopropyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide

C11H17N3O — CID 103737261

IUPACN-[(1-ethylcyclopropyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCC1(CNC(=O)c2cn[nH]c2C)CC1
InChIInChI=1S/C11H17N3O/c1-3-11(4-5-11)7-12-10(15)9-6-13-14-8(9)2/h6H,3-5,7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyNPQBVQQBPWPOAQ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.64
Rot. Bonds4

About N-[(1-ethylcyclopropyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide

N-[(1-ethylcyclopropyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 103737261) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID103737261
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCC1(CNC(=O)c2cn[nH]c2C)CC1
InChIInChI=1S/C11H17N3O/c1-3-11(4-5-11)7-12-10(15)9-6-13-14-8(9)2/h6H,3-5,7H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyNPQBVQQBPWPOAQ-UHFFFAOYSA-N
XLogP1.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115432875
4-amino-N-[(1-ethylcyclopropyl)methyl]-6-methylpyridine-3-carboxamide
CID 114101892
N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 65110977
N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 79080022
N-(cyclopentylmethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 62400684
N-(2-methoxypropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 102700145
5-amino-N-[(1-ethylcyclopropyl)methyl]-1-methylpyrazole-4-carboxamide
CID 103940231
5-methyl-N-pentan-3-yl-1H-pyrazole-4-carboxamide
CID 63996997
N-[(1-ethylcyclopropyl)methyl]-2,3-dihydroxybenzamide
CID 104931813
2-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]butanoic acid
CID 65218133
N-[(1-ethylcyclopentyl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 113257957
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103843692

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 103737261) is N-[(1-ethylcyclopropyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide is CCC1(CNC(=O)c2cn[nH]c2C)CC1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is NPQBVQQBPWPOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-11(4-5-11)7-12-10(15)9-6-13-14-8(9)2/h6H,3-5,7H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[(1-ethylcyclopropyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 207.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 103737261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).