2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide

C17H16BrCl2N5O — CID 19407361

IUPAC2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1nn(Cc2ccc(Cl)cc2)cc1Cl)n1cc(Br)cn1
InChIInChI=1S/C17H16BrCl2N5O/c1-17(2,25-9-12(18)7-21-25)16(26)22-15-14(20)10-24(23-15)8-11-3-5-13(19)6-4-11/h3-7,9-10H,8H2,1-2H3,(H,22,23,26)
InChIKeyQSOLDTTZUOMLBH-UHFFFAOYSA-N
MW457.16 g/mol
LogP4.57
Rot. Bonds5

About 2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide

2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide (PubChem CID 19407361) has the molecular formula C17H16BrCl2N5O and a molecular weight of 457.16 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide
PubChem CID19407361
Molecular FormulaC17H16BrCl2N5O
Molecular Weight457.16 g/mol
Exact Mass454.99
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1nn(Cc2ccc(Cl)cc2)cc1Cl)n1cc(Br)cn1
InChIInChI=1S/C17H16BrCl2N5O/c1-17(2,25-9-12(18)7-21-25)16(26)22-15-14(20)10-24(23-15)8-11-3-5-13(19)6-4-11/h3-7,9-10H,8H2,1-2H3,(H,22,23,26)
InChIKeyQSOLDTTZUOMLBH-UHFFFAOYSA-N
XLogP4.57
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.16
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide 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

2-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-methylpropanamide
CID 19407748
2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19524682
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-bromopyrazol-1-yl)propanamide
CID 19284399
3-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide
CID 19566282
3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19565700
2-(4-bromopyrazol-1-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide
CID 19409821
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 19553968
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19525593
2,4-dichloro-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19407398
4-bromo-N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19398624
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-bromopyrazol-1-yl)acetamide
CID 19524643
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide
CID 19345119

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide (CID 19407361) is 2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide is CC(C)(C(=O)Nc1nn(Cc2ccc(Cl)cc2)cc1Cl)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide?
The InChIKey is QSOLDTTZUOMLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrCl2N5O/c1-17(2,25-9-12(18)7-21-25)16(26)22-15-14(20)10-24(23-15)8-11-3-5-13(19)6-4-11/h3-7,9-10H,8H2,1-2H3,(H,22,23,26).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide?
2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide has a molecular weight of 457.16 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpropanamide is sourced from PubChem (CID 19407361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).