2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide

C13H21N3O2 — CID 94414647

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C13H21N3O2/c1-8-10(9(2)16-15-8)7-13(18)14-11-5-3-4-6-12(11)17/h11-12,17H,3-7H2,1-2H3,(H,14,18)(H,15,16)/t11-,12-/m1/s1
InChIKeyJKYHOXMRGCYKTM-VXGBXAGGSA-N
MW251.33 g/mol
LogP0.99
Rot. Bonds3

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide (PubChem CID 94414647) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
PubChem CID94414647
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
SMILESCc1n[nH]c(C)c1CC(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C13H21N3O2/c1-8-10(9(2)16-15-8)7-13(18)14-11-5-3-4-6-12(11)17/h11-12,17H,3-7H2,1-2H3,(H,14,18)(H,15,16)/t11-,12-/m1/s1
InChIKeyJKYHOXMRGCYKTM-VXGBXAGGSA-N
XLogP0.99
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxycyclohexyl)acetamide
CID 55064029
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(hydroxymethyl)cycloheptyl]acetamide
CID 119044630
N-cycloheptyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 20950838
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 64927671
N-[(3S,4R)-3-(cyclobutylmethoxy)oxan-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 91783447
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxycyclobutyl)methyl]acetamide
CID 66006897
ethyl 4-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]piperidine-1-carboxylate
CID 110695247
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214
2-(2,6-dichlorophenyl)-N-(2-hydroxycyclohexyl)acetamide
CID 55063701
N-[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 70764072
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2H-triazol-4-yl)acetamide
CID 138027211
2-hydroxy-N-[(1R,2R)-2-hydroxycycloheptyl]acetamide
CID 130693023

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide (CID 94414647) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide is Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide?
The InChIKey is JKYHOXMRGCYKTM-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8-10(9(2)16-15-8)7-13(18)14-11-5-3-4-6-12(11)17/h11-12,17H,3-7H2,1-2H3,(H,14,18)(H,15,16)/t11-,12-/m1/s1.
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide is sourced from PubChem (CID 94414647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).