4-amino-5-ethyl-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide

C13H22N4O — CID 55034049

IUPAC4-amino-5-ethyl-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC2CCCCC2C)c1N
InChIInChI=1S/C13H22N4O/c1-3-9-11(14)12(17-16-9)13(18)15-10-7-5-4-6-8(10)2/h8,10H,3-7,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeySBDYXZRIZYJWLQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.86
Rot. Bonds3

About 4-amino-5-ethyl-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide (PubChem CID 55034049) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide
PubChem CID55034049
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-amino-5-ethyl-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC2CCCCC2C)c1N
InChIInChI=1S/C13H22N4O/c1-3-9-11(14)12(17-16-9)13(18)15-10-7-5-4-6-8(10)2/h8,10H,3-7,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeySBDYXZRIZYJWLQ-UHFFFAOYSA-N
XLogP1.86
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2,2-dimethylcyclopropyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 62081497
4-amino-5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-3-carboxamide
CID 65117831
4-amino-5-ethyl-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrazole-3-carboxamide
CID 103965110
4-amino-5-ethyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62081323
5-amino-N-(2-methylcyclohexyl)-1H-indazole-3-carboxamide
CID 60906370
4-amino-5-cyclopropyl-N-(2-methylcyclopropyl)-1H-pyrazole-3-carboxamide
CID 62396873
4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62081121
4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide
CID 114615036
4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide
CID 107210470
4-amino-N-(2-amino-2-oxoethyl)-N-cyclopentyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 62082354
N-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 95386223
4-amino-N-cyclopropyl-5-ethyl-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide
CID 55034194

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide (CID 55034049) is 4-amino-5-ethyl-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NC2CCCCC2C)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide?
The InChIKey is SBDYXZRIZYJWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-9-11(14)12(17-16-9)13(18)15-10-7-5-4-6-8(10)2/h8,10H,3-7,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-5-ethyl-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55034049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).