4-bromo-5-propan-2-yl-N-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide

C11H17BrN4O — CID 119452554

IUPAC4-bromo-5-propan-2-yl-N-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NC2CCNC2)c1Br
InChIInChI=1S/C11H17BrN4O/c1-6(2)9-8(12)10(16-15-9)11(17)14-7-3-4-13-5-7/h6-7,13H,3-5H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyXKTQAQALGSNVKV-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.39
Rot. Bonds3

About 4-bromo-5-propan-2-yl-N-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide

4-bromo-5-propan-2-yl-N-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide (PubChem CID 119452554) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 4-bromo-5-propan-2-yl-N-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-propan-2-yl-N-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide
PubChem CID119452554
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name4-bromo-5-propan-2-yl-N-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NC2CCNC2)c1Br
InChIInChI=1S/C11H17BrN4O/c1-6(2)9-8(12)10(16-15-9)11(17)14-7-3-4-13-5-7/h6-7,13H,3-5H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyXKTQAQALGSNVKV-UHFFFAOYSA-N
XLogP1.39
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-bromo-5-propan-2-yl-N-pyrrolidin-3-yl-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-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide
CID 119536441
4-bromo-5-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119536440
4-bromo-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56565279
4,5-dibromo-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 19508558
4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide
CID 19508390
4-bromo-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564835
N-(3-aminobutyl)-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119497916
5-bromo-N-piperidin-3-yl-1H-indazole-3-carboxamide
CID 119427244
4-bromo-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564644
4-bromo-N-[(1-hydroxycyclobutyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 111445713
4-hydroxy-1-(4-propan-2-ylphenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119454366
4-[2-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)hydrazinyl]-N-cyclopropylbenzenesulfonamide
CID 56566087

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-propan-2-yl-N-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-5-propan-2-yl-N-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide (CID 119452554) is 4-bromo-5-propan-2-yl-N-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-5-propan-2-yl-N-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-5-propan-2-yl-N-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)NC2CCNC2)c1Br.
What is the InChIKey of 4-bromo-5-propan-2-yl-N-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide?
The InChIKey is XKTQAQALGSNVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-6(2)9-8(12)10(16-15-9)11(17)14-7-3-4-13-5-7/h6-7,13H,3-5H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 4-bromo-5-propan-2-yl-N-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide?
4-bromo-5-propan-2-yl-N-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide has a molecular weight of 301.19 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-propan-2-yl-N-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 119452554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).