4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide

C9H11Br2N3O — CID 19508390

IUPAC4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1n[nH]c(Br)c1Br
InChIInChI=1S/C9H11Br2N3O/c10-6-7(13-14-8(6)11)9(15)12-5-3-1-2-4-5/h5H,1-4H2,(H,12,15)(H,13,14)
InChIKeyODSCOFPLOWISCE-UHFFFAOYSA-N
MW337.02 g/mol
LogP2.61
Rot. Bonds2

About 4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide

4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide (PubChem CID 19508390) has the molecular formula C9H11Br2N3O and a molecular weight of 337.02 g/mol. Its IUPAC name is 4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide
PubChem CID19508390
Molecular FormulaC9H11Br2N3O
Molecular Weight337.02 g/mol
Exact Mass334.93
IUPAC Name4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1n[nH]c(Br)c1Br
InChIInChI=1S/C9H11Br2N3O/c10-6-7(13-14-8(6)11)9(15)12-5-3-1-2-4-5/h5H,1-4H2,(H,12,15)(H,13,14)
InChIKeyODSCOFPLOWISCE-UHFFFAOYSA-N
XLogP2.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.02
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,5-dibromo-N-cyclopentyl-1H-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

Related Compounds

4,5-dibromo-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 19508558
4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 47426517
4-amino-N-cyclopentyl-5-methyl-1H-pyrazole-3-carboxamide
CID 62081203
4-bromo-5-propan-2-yl-N-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide
CID 119452554
4-chloro-N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide
CID 135567957
5-amino-N-cycloheptyl-2H-triazole-4-carboxamide
CID 110484902
4-chloro-N-cyclohexyl-5-nitro-1H-pyrazole-3-carboxamide
CID 135803610
4-bromo-N-cycloheptyl-1,5-dimethylpyrazole-3-carboxamide
CID 19266124
N-cyclohexyl-5-sulfanylidene-1,2-dihydrotriazole-4-carboxamide
CID 4623738
N-cyclohexyl-5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65374364
5-amino-N-cyclobutyl-2H-triazole-4-carboxamide
CID 105439344
4,5-dibromo-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 19508462

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide (CID 19508390) is 4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide is O=C(NC1CCCC1)c1n[nH]c(Br)c1Br.
What is the InChIKey of 4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide?
The InChIKey is ODSCOFPLOWISCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2N3O/c10-6-7(13-14-8(6)11)9(15)12-5-3-1-2-4-5/h5H,1-4H2,(H,12,15)(H,13,14).
What are the key properties of 4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide?
4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide has a molecular weight of 337.02 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19508390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).