1-benzyl-5-chloro-3-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide

C25H28ClN5O2 — CID 55714392

IUPAC1-benzyl-5-chloro-3-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C25H28ClN5O2/c1-18-22(23(26)31(28-18)17-20-6-4-3-5-7-20)24(32)27-16-19-8-10-21(11-9-19)25(33)30-14-12-29(2)13-15-30/h3-11H,12-17H2,1-2H3,(H,27,32)
InChIKeyZDQBSUSPCLQCPQ-UHFFFAOYSA-N
MW465.99 g/mol
LogP3.21
Rot. Bonds6

About 1-benzyl-5-chloro-3-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide

1-benzyl-5-chloro-3-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 55714392) has the molecular formula C25H28ClN5O2 and a molecular weight of 465.99 g/mol. Its IUPAC name is 1-benzyl-5-chloro-3-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-chloro-3-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID55714392
Molecular FormulaC25H28ClN5O2
Molecular Weight465.99 g/mol
Exact Mass465.19
IUPAC Name1-benzyl-5-chloro-3-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C25H28ClN5O2/c1-18-22(23(26)31(28-18)17-20-6-4-3-5-7-20)24(32)27-16-19-8-10-21(11-9-19)25(33)30-14-12-29(2)13-15-30/h3-11H,12-17H2,1-2H3,(H,27,32)
InChIKeyZDQBSUSPCLQCPQ-UHFFFAOYSA-N
XLogP3.21
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.99
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(4-chlorophenyl)methyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 26911967
1-benzyl-5-chloro-N-(2-hydroxyethyl)-3-methylpyrazole-4-carboxamide
CID 78800646
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 46533344
[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769617
5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-phenylpyrazole-3-carboxamide
CID 55780170
5-chloro-3-methyl-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 60535824
1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide
CID 78803331
5-chloro-3-methyl-N-[(2-methylphenyl)methyl]-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 26313221
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55587112
2-(2,4-dimethylquinolin-3-yl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 55708866
1-benzyl-3,5-dimethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 56523307
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(3-phenylpropyl)pyrazole-4-carboxamide
CID 27647040

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-3-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-chloro-3-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide (CID 55714392) is 1-benzyl-5-chloro-3-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-chloro-3-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-chloro-3-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 1-benzyl-5-chloro-3-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is ZDQBSUSPCLQCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O2/c1-18-22(23(26)31(28-18)17-20-6-4-3-5-7-20)24(32)27-16-19-8-10-21(11-9-19)25(33)30-14-12-29(2)13-15-30/h3-11H,12-17H2,1-2H3,(H,27,32).
What are the key properties of 1-benzyl-5-chloro-3-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide?
1-benzyl-5-chloro-3-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 465.99 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-3-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55714392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).