N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide

C13H21N3O — CID 155036093

IUPACN-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NCC1CCCCC1
InChIInChI=1S/C13H21N3O/c1-2-16-12(8-9-15-16)13(17)14-10-11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,14,17)
InChIKeyMSECSHMGDKPGSR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.21
Rot. Bonds4

About N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide

N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide (PubChem CID 155036093) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide
PubChem CID155036093
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NCC1CCCCC1
InChIInChI=1S/C13H21N3O/c1-2-16-12(8-9-15-16)13(17)14-10-11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,14,17)
InChIKeyMSECSHMGDKPGSR-UHFFFAOYSA-N
XLogP2.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(oxiran-2-ylmethyl)pyrazole-3-carboxamide
CID 102548374
N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-2-ethylpyrazole-3-carboxamide
CID 128999502
methyl (2S)-2-cycloheptyl-2-[(2-ethylpyrazole-3-carbonyl)amino]acetate
CID 170982661
N-(cyclohexylmethyl)-3-(3,4-difluorophenyl)-1-ethylpyrazole-5-carboxamide
CID 46105464
N-[[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-2-propylpyrazole-3-carboxamide
CID 125169973
N-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide
CID 166874447
4-chloro-N-(cyclobutylmethyl)-1-ethylpyrazole-3-carboxamide
CID 95756461
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19475319
2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone
CID 114972245
2-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390417
2-ethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390415
2-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
CID 19475507

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide (CID 155036093) is N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide?
The InChIKey is MSECSHMGDKPGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-16-12(8-9-15-16)13(17)14-10-11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,14,17).
What are the key properties of N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide?
N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 155036093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).