N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide

C21H18BrClN4O — CID 19286987

IUPACN-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1nn(Cc2ccccc2Cl)cc1Br
InChIInChI=1S/C21H18BrClN4O/c22-17-13-27(12-15-5-1-3-7-18(15)23)26-21(17)25-20(28)10-9-14-11-24-19-8-4-2-6-16(14)19/h1-8,11,13,24H,9-10,12H2,(H,25,26,28)
InChIKeyWFLAYVHKFYMHOP-UHFFFAOYSA-N
MW457.76 g/mol
LogP5.40
Rot. Bonds6

About N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide

N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide (PubChem CID 19286987) has the molecular formula C21H18BrClN4O and a molecular weight of 457.76 g/mol. Its IUPAC name is N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
PubChem CID19286987
Molecular FormulaC21H18BrClN4O
Molecular Weight457.76 g/mol
Exact Mass456.04
IUPAC NameN-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1nn(Cc2ccccc2Cl)cc1Br
InChIInChI=1S/C21H18BrClN4O/c22-17-13-27(12-15-5-1-3-7-18(15)23)26-21(17)25-20(28)10-9-14-11-24-19-8-4-2-6-16(14)19/h1-8,11,13,24H,9-10,12H2,(H,25,26,28)
InChIKeyWFLAYVHKFYMHOP-UHFFFAOYSA-N
XLogP5.40
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.76
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide 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

N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
CID 19407183
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-(1H-indol-3-yl)butanamide
CID 19285296
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19287180
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19287198
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
CID 19406963
3-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 19394803
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569908
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19344988
3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19565666
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
CID 19337105
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19286999
2-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19287025

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide (CID 19286987) is N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1nn(Cc2ccccc2Cl)cc1Br.
What is the InChIKey of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is WFLAYVHKFYMHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrClN4O/c22-17-13-27(12-15-5-1-3-7-18(15)23)26-21(17)25-20(28)10-9-14-11-24-19-8-4-2-6-16(14)19/h1-8,11,13,24H,9-10,12H2,(H,25,26,28).
What are the key properties of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide?
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 457.76 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 19286987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).