1-(oxan-4-ylmethyl)pyrazole-3-carboxamide

C10H15N3O2 — CID 118365559

IUPAC1-(oxan-4-ylmethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(CC2CCOCC2)n1
InChIInChI=1S/C10H15N3O2/c11-10(14)9-1-4-13(12-9)7-8-2-5-15-6-3-8/h1,4,8H,2-3,5-7H2,(H2,11,14)
InChIKeyUQZPXLZUVRQDCU-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.41
Rot. Bonds3

About 1-(oxan-4-ylmethyl)pyrazole-3-carboxamide

1-(oxan-4-ylmethyl)pyrazole-3-carboxamide (PubChem CID 118365559) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)pyrazole-3-carboxamide
PubChem CID118365559
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1-(oxan-4-ylmethyl)pyrazole-3-carboxamide
SMILESNC(=O)c1ccn(CC2CCOCC2)n1
InChIInChI=1S/C10H15N3O2/c11-10(14)9-1-4-13(12-9)7-8-2-5-15-6-3-8/h1,4,8H,2-3,5-7H2,(H2,11,14)
InChIKeyUQZPXLZUVRQDCU-UHFFFAOYSA-N
XLogP0.41
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(oxan-4-ylmethyl)pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(oxan-4-ylmethyl)pyrazole-3-carboxamide (CID 118365559) is 1-(oxan-4-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(oxan-4-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(oxan-4-ylmethyl)pyrazole-3-carboxamide is NC(=O)c1ccn(CC2CCOCC2)n1.
What is the InChIKey of 1-(oxan-4-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is UQZPXLZUVRQDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-10(14)9-1-4-13(12-9)7-8-2-5-15-6-3-8/h1,4,8H,2-3,5-7H2,(H2,11,14).
What are the key properties of 1-(oxan-4-ylmethyl)pyrazole-3-carboxamide?
1-(oxan-4-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 118365559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).