N-[4-(hydroxymethyl)cyclohexyl]-2-pyrazol-1-ylacetamide

C12H19N3O2 — CID 113384212

IUPACN-[4-(hydroxymethyl)cyclohexyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NC1CCC(CO)CC1
InChIInChI=1S/C12H19N3O2/c16-9-10-2-4-11(5-3-10)14-12(17)8-15-7-1-6-13-15/h1,6-7,10-11,16H,2-5,8-9H2,(H,14,17)
InChIKeyRAXFRVZCSKWDDP-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.55
Rot. Bonds4

About N-[4-(hydroxymethyl)cyclohexyl]-2-pyrazol-1-ylacetamide

N-[4-(hydroxymethyl)cyclohexyl]-2-pyrazol-1-ylacetamide (PubChem CID 113384212) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)cyclohexyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)cyclohexyl]-2-pyrazol-1-ylacetamide
PubChem CID113384212
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[4-(hydroxymethyl)cyclohexyl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)NC1CCC(CO)CC1
InChIInChI=1S/C12H19N3O2/c16-9-10-2-4-11(5-3-10)14-12(17)8-15-7-1-6-13-15/h1,6-7,10-11,16H,2-5,8-9H2,(H,14,17)
InChIKeyRAXFRVZCSKWDDP-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-[4-(hydroxymethyl)cyclohexyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[4-(hydroxymethyl)cyclohexyl]-2-pyrazol-1-ylacetamide (CID 113384212) is N-[4-(hydroxymethyl)cyclohexyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[4-(hydroxymethyl)cyclohexyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[4-(hydroxymethyl)cyclohexyl]-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)NC1CCC(CO)CC1.
What is the InChIKey of N-[4-(hydroxymethyl)cyclohexyl]-2-pyrazol-1-ylacetamide?
The InChIKey is RAXFRVZCSKWDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-9-10-2-4-11(5-3-10)14-12(17)8-15-7-1-6-13-15/h1,6-7,10-11,16H,2-5,8-9H2,(H,14,17).
What are the key properties of N-[4-(hydroxymethyl)cyclohexyl]-2-pyrazol-1-ylacetamide?
N-[4-(hydroxymethyl)cyclohexyl]-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-[4-(hydroxymethyl)cyclohexyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 113384212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).