[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone

C21H24BrClN6O — CID 19472375

IUPAC[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESCc1nn(Cn2ccc(C(=O)N3CCN(Cc4cccc(Cl)c4)CC3)n2)c(C)c1Br
InChIInChI=1S/C21H24BrClN6O/c1-15-20(22)16(2)29(24-15)14-28-7-6-19(25-28)21(30)27-10-8-26(9-11-27)13-17-4-3-5-18(23)12-17/h3-7,12H,8-11,13-14H2,1-2H3
InChIKeyIBYLLQSYTJWIIC-UHFFFAOYSA-N
MW491.82 g/mol
LogP3.58
Rot. Bonds5

About [1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone

[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19472375) has the molecular formula C21H24BrClN6O and a molecular weight of 491.82 g/mol. Its IUPAC name is [1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19472375
Molecular FormulaC21H24BrClN6O
Molecular Weight491.82 g/mol
Exact Mass490.09
IUPAC Name[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
SMILESCc1nn(Cn2ccc(C(=O)N3CCN(Cc4cccc(Cl)c4)CC3)n2)c(C)c1Br
InChIInChI=1S/C21H24BrClN6O/c1-15-20(22)16(2)29(24-15)14-28-7-6-19(25-28)21(30)27-10-8-26(9-11-27)13-17-4-3-5-18(23)12-17/h3-7,12H,8-11,13-14H2,1-2H3
InChIKeyIBYLLQSYTJWIIC-UHFFFAOYSA-N
XLogP3.58
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.82
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-[(3-chlorophenyl)methyl]piperazin-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

Related Compounds

[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 35327021
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19264337
[1-[(4-bromophenoxy)methyl]pyrazol-3-yl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19472567
[1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazol-3-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19472417
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 19473137
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone
CID 19472615
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide
CID 19264288
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1-[(2,6-dichlorophenoxy)methyl]pyrazol-3-yl]methanone
CID 19472687
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51176978
[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325282
4-bromo-1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazole
CID 62128432
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]methanone
CID 19472732

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone (CID 19472375) is [1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone is Cc1nn(Cn2ccc(C(=O)N3CCN(Cc4cccc(Cl)c4)CC3)n2)c(C)c1Br.
What is the InChIKey of [1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is IBYLLQSYTJWIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrClN6O/c1-15-20(22)16(2)29(24-15)14-28-7-6-19(25-28)21(30)27-10-8-26(9-11-27)13-17-4-3-5-18(23)12-17/h3-7,12H,8-11,13-14H2,1-2H3.
What are the key properties of [1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone?
[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 491.82 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19472375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).