(4-bromo-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone

C9H12BrN3O — CID 1219595

IUPAC(4-bromo-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCn1ncc(Br)c1C(=O)N1CCCC1
InChIInChI=1S/C9H12BrN3O/c1-12-8(7(10)6-11-12)9(14)13-4-2-3-5-13/h6H,2-5H2,1H3
InChIKeyYNJBPDCBOSAKOU-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.42
Rot. Bonds1

About (4-bromo-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone

(4-bromo-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone (PubChem CID 1219595) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
PubChem CID1219595
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCn1ncc(Br)c1C(=O)N1CCCC1
InChIInChI=1S/C9H12BrN3O/c1-12-8(7(10)6-11-12)9(14)13-4-2-3-5-13/h6H,2-5H2,1H3
InChIKeyYNJBPDCBOSAKOU-UHFFFAOYSA-N
XLogP1.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-bromo-1-methylpyrazol-5-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

Related Compounds

4-bromo-N-cyclohexyl-1-methyl-1H-pyrazole-5-carboxamide
CID 750357
1-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]azepane
CID 903069
4-bromo-N-cycloheptyl-1-methylpyrazole-3-carboxamide
CID 903382
(4-bromo-2-methylpyrazol-3-yl)-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 4071115
[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-(4-bromo-2-methylpyrazol-3-yl)methanone
CID 4103503
4-bromo-N-cyclooctyl-1-ethyl-1H-pyrazole-5-carboxamide
CID 831883
4-bromo-N-cyclooctyl-1-methyl-1H-pyrazole-5-carboxamide
CID 844722
4-bromo-N-cycloheptyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903183
4-bromo-N-cyclopentyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903308
1-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]azepane
CID 1219586
N-[3-(4-bromo-1H-pyrazol-1-yl)propyl]-4-iodo-1-methyl-1H-pyrazole-3-carboxamide
CID 4768427
4-bromo-N-cyclohexyl-1-methyl-1H-pyrazole-3-carboxamide
CID 661401

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone (CID 1219595) is (4-bromo-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone is Cn1ncc(Br)c1C(=O)N1CCCC1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is YNJBPDCBOSAKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c1-12-8(7(10)6-11-12)9(14)13-4-2-3-5-13/h6H,2-5H2,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone?
(4-bromo-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 258.12 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 1219595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).