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

C13H21N3O2 — CID 55064029

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxycyclohexyl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NC1CCCCC1O
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)
InChIKeyJKYHOXMRGCYKTM-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.99
Rot. Bonds3

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxycyclohexyl)acetamide (PubChem CID 55064029) 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-(2-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxycyclohexyl)acetamide
PubChem CID55064029
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxycyclohexyl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NC1CCCCC1O
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)
InChIKeyJKYHOXMRGCYKTM-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxycyclohexyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxycyclohexyl)acetamide (CID 55064029) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxycyclohexyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxycyclohexyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxycyclohexyl)acetamide is Cc1n[nH]c(C)c1CC(=O)NC1CCCCC1O.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxycyclohexyl)acetamide?
The InChIKey is JKYHOXMRGCYKTM-UHFFFAOYSA-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).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-hydroxycyclohexyl)acetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(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-(2-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 55064029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).