(2-methylpyrazol-3-yl)-pyrrolidin-3-ylmethanone

C9H13N3O — CID 116568222

IUPAC(2-methylpyrazol-3-yl)-pyrrolidin-3-ylmethanone
SMILESCn1nccc1C(=O)C1CCNC1
InChIInChI=1S/C9H13N3O/c1-12-8(3-5-11-12)9(13)7-2-4-10-6-7/h3,5,7,10H,2,4,6H2,1H3
InChIKeyIYOYUIZTZMMYLH-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.21
Rot. Bonds2

About (2-methylpyrazol-3-yl)-pyrrolidin-3-ylmethanone

(2-methylpyrazol-3-yl)-pyrrolidin-3-ylmethanone (PubChem CID 116568222) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-pyrrolidin-3-ylmethanone
PubChem CID116568222
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(2-methylpyrazol-3-yl)-pyrrolidin-3-ylmethanone
SMILESCn1nccc1C(=O)C1CCNC1
InChIInChI=1S/C9H13N3O/c1-12-8(3-5-11-12)9(13)7-2-4-10-6-7/h3,5,7,10H,2,4,6H2,1H3
InChIKeyIYOYUIZTZMMYLH-UHFFFAOYSA-N
XLogP0.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-methylpyrazol-3-yl)-pyrrolidin-3-ylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

(2-propan-2-ylpyrazol-3-yl)-pyrrolidin-3-ylmethanone
CID 84734168
(2-methylpyrazol-3-yl)-morpholin-2-ylmethanone
CID 116561589
(2-methylpyrazol-3-yl)-piperidin-2-ylmethanone
CID 116547731
(3R)-N-(2-methylpyrazol-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 130748052
(2-methyltriazol-4-yl)-pyrrolidin-3-ylmethanone
CID 130603381
N-(azepan-4-yl)-2-methylpyrazole-3-carboxamide
CID 105059420
(2-methylpyrazol-3-yl)-piperazin-1-ylmethanone;dihydrochloride
CID 126965683
azetidin-3-yl-(2-propylpyrazol-3-yl)methanone
CID 116583695
(3-propyltriazol-4-yl)-pyrrolidin-3-ylmethanone
CID 114691988
furan-3-yl(pyrrolidin-3-yl)methanone
CID 116568441
pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride
CID 91623851
(3-propan-2-ylimidazol-4-yl)-pyrrolidin-3-ylmethanone
CID 84734169

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-pyrrolidin-3-ylmethanone?
The IUPAC name of (2-methylpyrazol-3-yl)-pyrrolidin-3-ylmethanone (CID 116568222) is (2-methylpyrazol-3-yl)-pyrrolidin-3-ylmethanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-pyrrolidin-3-ylmethanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-pyrrolidin-3-ylmethanone is Cn1nccc1C(=O)C1CCNC1.
What is the InChIKey of (2-methylpyrazol-3-yl)-pyrrolidin-3-ylmethanone?
The InChIKey is IYOYUIZTZMMYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-12-8(3-5-11-12)9(13)7-2-4-10-6-7/h3,5,7,10H,2,4,6H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-pyrrolidin-3-ylmethanone?
(2-methylpyrazol-3-yl)-pyrrolidin-3-ylmethanone has a molecular weight of 179.22 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 116568222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).