(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-(2-phenylpyrrolidin-1-yl)methanone

C17H20BrN3O — CID 56560397

IUPAC(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESCC(C)c1[nH]nc(C(=O)N2CCCC2c2ccccc2)c1Br
InChIInChI=1S/C17H20BrN3O/c1-11(2)15-14(18)16(20-19-15)17(22)21-10-6-9-13(21)12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H,19,20)
InChIKeyFHEUWMOHWBAXGE-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.27
Rot. Bonds3

About (4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-(2-phenylpyrrolidin-1-yl)methanone

(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-(2-phenylpyrrolidin-1-yl)methanone (PubChem CID 56560397) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is (4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-(2-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-(2-phenylpyrrolidin-1-yl)methanone
PubChem CID56560397
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESCC(C)c1[nH]nc(C(=O)N2CCCC2c2ccccc2)c1Br
InChIInChI=1S/C17H20BrN3O/c1-11(2)15-14(18)16(20-19-15)17(22)21-10-6-9-13(21)12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H,19,20)
InChIKeyFHEUWMOHWBAXGE-UHFFFAOYSA-N
XLogP4.27
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-(2-phenylpyrrolidin-1-yl)methanone 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 (4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-(2-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-(2-phenylpyrrolidin-1-yl)methanone (CID 56560397) is (4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-(2-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-(2-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-(2-phenylpyrrolidin-1-yl)methanone is CC(C)c1[nH]nc(C(=O)N2CCCC2c2ccccc2)c1Br.
What is the InChIKey of (4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-(2-phenylpyrrolidin-1-yl)methanone?
The InChIKey is FHEUWMOHWBAXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-11(2)15-14(18)16(20-19-15)17(22)21-10-6-9-13(21)12-7-4-3-5-8-12/h3-5,7-8,11,13H,6,9-10H2,1-2H3,(H,19,20).
What are the key properties of (4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-(2-phenylpyrrolidin-1-yl)methanone?
(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-(2-phenylpyrrolidin-1-yl)methanone has a molecular weight of 362.27 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-(2-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 56560397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).