N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-pyrazol-1-ylpropanamide

C14H23N3O2 — CID 65120280

IUPACN-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-pyrazol-1-ylpropanamide
SMILESCC1CCC(O)(CNC(=O)CCn2cccn2)CC1
InChIInChI=1S/C14H23N3O2/c1-12-3-6-14(19,7-4-12)11-15-13(18)5-10-17-9-2-8-16-17/h2,8-9,12,19H,3-7,10-11H2,1H3,(H,15,18)
InChIKeyJXHXLIBOVJKBFZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.33
Rot. Bonds5

About N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-pyrazol-1-ylpropanamide

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-pyrazol-1-ylpropanamide (PubChem CID 65120280) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-pyrazol-1-ylpropanamide
PubChem CID65120280
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-pyrazol-1-ylpropanamide
SMILESCC1CCC(O)(CNC(=O)CCn2cccn2)CC1
InChIInChI=1S/C14H23N3O2/c1-12-3-6-14(19,7-4-12)11-15-13(18)5-10-17-9-2-8-16-17/h2,8-9,12,19H,3-7,10-11H2,1H3,(H,15,18)
InChIKeyJXHXLIBOVJKBFZ-UHFFFAOYSA-N
XLogP1.33
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3-hydroxycyclobutyl)propyl]-3-pyrazol-1-ylpropanamide
CID 100008585
N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-2-(1H-pyrazol-1-yl)propanamide
CID 119065740
(2S)-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-2-pyrazol-1-ylpropanamide
CID 126436664
(2R)-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-2-pyrazol-1-ylpropanamide
CID 126436665
N-[(1-hydroxycyclohexyl)methyl]-6-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56856800
4-Methyl-1-(3-pyrazol-1-ylpropanoylamino)cyclohexane-1-carboxylic acid
CID 43163100
N-(4-methylcyclohexyl)-3-pyrazol-1-ylpropanamide
CID 46339324
4-({[3-(1h-Pyrazol-1-yl)propanoyl]amino}methyl)cyclohexanecarboxylic acid
CID 53216093
1-(((1-(1h-Pyrazol-1-yl)propan-2-yl)amino)methyl)cyclohexan-1-ol
CID 53521923
N-(2-hydroxycyclohexyl)-3-pyrazol-1-ylpropanamide
CID 55063606
N-[1-(hydroxymethyl)cyclopentyl]-3-pyrazol-1-ylpropanamide
CID 55081857
N-[1-(hydroxymethyl)cyclohexyl]-3-pyrazol-1-ylpropanamide
CID 55082650

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-pyrazol-1-ylpropanamide (CID 65120280) is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-pyrazol-1-ylpropanamide is CC1CCC(O)(CNC(=O)CCn2cccn2)CC1.
What is the InChIKey of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is JXHXLIBOVJKBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-12-3-6-14(19,7-4-12)11-15-13(18)5-10-17-9-2-8-16-17/h2,8-9,12,19H,3-7,10-11H2,1H3,(H,15,18).
What are the key properties of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-pyrazol-1-ylpropanamide?
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 65120280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).