N-(4-hydroxycyclohexyl)-2-pyrazol-1-ylpropanamide

C12H19N3O2 — CID 43417283

IUPACN-(4-hydroxycyclohexyl)-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NC1CCC(O)CC1)n1cccn1
InChIInChI=1S/C12H19N3O2/c1-9(15-8-2-7-13-15)12(17)14-10-3-5-11(16)6-4-10/h2,7-11,16H,3-6H2,1H3,(H,14,17)
InChIKeyVOLGSVKVSZMNGZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.86
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-2-pyrazol-1-ylpropanamide

N-(4-hydroxycyclohexyl)-2-pyrazol-1-ylpropanamide (PubChem CID 43417283) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-pyrazol-1-ylpropanamide
PubChem CID43417283
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(4-hydroxycyclohexyl)-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NC1CCC(O)CC1)n1cccn1
InChIInChI=1S/C12H19N3O2/c1-9(15-8-2-7-13-15)12(17)14-10-3-5-11(16)6-4-10/h2,7-11,16H,3-6H2,1H3,(H,14,17)
InChIKeyVOLGSVKVSZMNGZ-UHFFFAOYSA-N
XLogP0.86
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(1H-pyrazol-1-yl)acetamide
CID 39723150
N-[(1S)-1-(3-hydroxycyclobutyl)propyl]-3-pyrazol-1-ylpropanamide
CID 100008585
N-(4-hydroxycyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 43389135
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-[(1R,2R)-2-fluorocyclohexyl]-2-pyrazol-1-ylacetamide
CID 126790810
N-cyclohexyl-3-{[1-methyl-2-(1H-pyrazol-1-yl)ethyl]amino}propanamide
CID 50979961
4-[(1-Ethylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 106593658
N-[(2R,3R)-3-amino-2-hydroxy-4-pyrazol-1-ylbutyl]acetamide
CID 135138720
2-(2-cyclohexylpyrazol-2-ium-1-yl)-N-methylpropanamide;yttrium
CID 158726755
ethane;N-[(1R,2S,3S)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]acetamide
CID 162680936

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-pyrazol-1-ylpropanamide (CID 43417283) is N-(4-hydroxycyclohexyl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-pyrazol-1-ylpropanamide is CC(C(=O)NC1CCC(O)CC1)n1cccn1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-pyrazol-1-ylpropanamide?
The InChIKey is VOLGSVKVSZMNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(15-8-2-7-13-15)12(17)14-10-3-5-11(16)6-4-10/h2,7-11,16H,3-6H2,1H3,(H,14,17).
What are the key properties of N-(4-hydroxycyclohexyl)-2-pyrazol-1-ylpropanamide?
N-(4-hydroxycyclohexyl)-2-pyrazol-1-ylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 43417283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).