(5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone

C9H13N3O — CID 852807

IUPAC(5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCC2)n[nH]1
InChIInChI=1S/C9H13N3O/c1-7-6-8(11-10-7)9(13)12-4-2-3-5-12/h6H,2-5H2,1H3,(H,10,11)
InChIKeyOSEOURLGPPCEJS-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.95
Rot. Bonds1

About (5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone

(5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 852807) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID852807
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESCc1cc(C(=O)N2CCCC2)n[nH]1
InChIInChI=1S/C9H13N3O/c1-7-6-8(11-10-7)9(13)12-4-2-3-5-12/h6H,2-5H2,1H3,(H,10,11)
InChIKeyOSEOURLGPPCEJS-UHFFFAOYSA-N
XLogP0.95
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone 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 (5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone (CID 852807) is (5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone is Cc1cc(C(=O)N2CCCC2)n[nH]1.
What is the InChIKey of (5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is OSEOURLGPPCEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-6-8(11-10-7)9(13)12-4-2-3-5-12/h6H,2-5H2,1H3,(H,10,11).
What are the key properties of (5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone?
(5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 179.22 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 852807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).