N-[(2-hydroxycyclohexyl)methyl]-2-pyrazol-1-ylacetamide

C12H19N3O2 — CID 64927127

IUPACN-[(2-hydroxycyclohexyl)methyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NCC1CCCCC1O
InChIInChI=1S/C12H19N3O2/c16-11-5-2-1-4-10(11)8-13-12(17)9-15-7-3-6-14-15/h3,6-7,10-11,16H,1-2,4-5,8-9H2,(H,13,17)
InChIKeyHMPHBVUXQQQAKO-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.55
Rot. Bonds4

About N-[(2-hydroxycyclohexyl)methyl]-2-pyrazol-1-ylacetamide

N-[(2-hydroxycyclohexyl)methyl]-2-pyrazol-1-ylacetamide (PubChem CID 64927127) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-2-pyrazol-1-ylacetamide
PubChem CID64927127
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NCC1CCCCC1O
InChIInChI=1S/C12H19N3O2/c16-11-5-2-1-4-10(11)8-13-12(17)9-15-7-3-6-14-15/h3,6-7,10-11,16H,1-2,4-5,8-9H2,(H,13,17)
InChIKeyHMPHBVUXQQQAKO-UHFFFAOYSA-N
XLogP0.55
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-pyrazol-1-ylacetamide (CID 64927127) is N-[(2-hydroxycyclohexyl)methyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)NCC1CCCCC1O.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-2-pyrazol-1-ylacetamide?
The InChIKey is HMPHBVUXQQQAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-11-5-2-1-4-10(11)8-13-12(17)9-15-7-3-6-14-15/h3,6-7,10-11,16H,1-2,4-5,8-9H2,(H,13,17).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-2-pyrazol-1-ylacetamide?
N-[(2-hydroxycyclohexyl)methyl]-2-pyrazol-1-ylacetamide has a molecular weight of 237.30 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 64927127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).