5-ethyl-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide

C18H31N3O2 — CID 109478202

IUPAC5-ethyl-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC2(C)CCCCC2O)cnn1CC(C)C
InChIInChI=1S/C18H31N3O2/c1-5-15-14(10-20-21(15)11-13(2)3)17(23)19-12-18(4)9-7-6-8-16(18)22/h10,13,16,22H,5-9,11-12H2,1-4H3,(H,19,23)
InChIKeyAGSFTBRPMWKDMW-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.77
Rot. Bonds6

About 5-ethyl-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide

5-ethyl-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 109478202) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 5-ethyl-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID109478202
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name5-ethyl-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCC2(C)CCCCC2O)cnn1CC(C)C
InChIInChI=1S/C18H31N3O2/c1-5-15-14(10-20-21(15)11-13(2)3)17(23)19-12-18(4)9-7-6-8-16(18)22/h10,13,16,22H,5-9,11-12H2,1-4H3,(H,19,23)
InChIKeyAGSFTBRPMWKDMW-UHFFFAOYSA-N
XLogP2.77
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-5-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 126808258
1-ethyl-N-(4-hydroxy-5-methylhexan-3-yl)-3-(oxan-4-yl)pyrazole-4-carboxamide
CID 126815538
N-[2-(1-hydroxycyclopentyl)-2-methylpropyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 128653138
N-[[1-(methoxymethyl)cyclohexyl]methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide
CID 137983946
N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-methyl-3-propan-2-ylpyrazole-4-carboxamide
CID 164639710
5-(difluoromethyl)-N-[(3-hydroxycyclohexyl)methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 109868288
5-(difluoromethyl)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 109869050
(3-Tert-butyl-1-methylpyrazol-4-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 109929736
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 110003353
1-[[[5-(Difluoromethyl)-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120543946
5-(difluoromethyl)-N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 126808278
(3-Tert-butyl-1-methylpyrazol-4-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 45285709

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 109478202) is 5-ethyl-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide is CCc1c(C(=O)NCC2(C)CCCCC2O)cnn1CC(C)C.
What is the InChIKey of 5-ethyl-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is AGSFTBRPMWKDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-5-15-14(10-20-21(15)11-13(2)3)17(23)19-12-18(4)9-7-6-8-16(18)22/h10,13,16,22H,5-9,11-12H2,1-4H3,(H,19,23).
What are the key properties of 5-ethyl-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide?
5-ethyl-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 109478202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).