4-(3-chlorophenyl)-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide

C21H22ClN5O — CID 108813124

IUPAC4-(3-chlorophenyl)-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCn1nc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1-c1ccccc1
InChIInChI=1S/C21H22ClN5O/c1-25-19(16-6-3-2-4-7-16)15-20(24-25)23-21(28)27-12-10-26(11-13-27)18-9-5-8-17(22)14-18/h2-9,14-15H,10-13H2,1H3,(H,23,24,28)
InChIKeyJCHKACZIJCCFSE-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.09
Rot. Bonds3

About 4-(3-chlorophenyl)-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide

4-(3-chlorophenyl)-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide (PubChem CID 108813124) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide
PubChem CID108813124
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC Name4-(3-chlorophenyl)-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCn1nc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1-c1ccccc1
InChIInChI=1S/C21H22ClN5O/c1-25-19(16-6-3-2-4-7-16)15-20(24-25)23-21(28)27-12-10-26(11-13-27)18-9-5-8-17(22)14-18/h2-9,14-15H,10-13H2,1H3,(H,23,24,28)
InChIKeyJCHKACZIJCCFSE-UHFFFAOYSA-N
XLogP4.09
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-4-(1-methyl-5-phenylpyrazole-3-carbonyl)piperazine-1-carboxamide
CID 164898192
3,5-dimethyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperidine-1-carboxamide
CID 108813000
1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108812972
4-(3-chlorophenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)piperazine-1-carboxamide
CID 136559298
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 86987085
4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 6467004
1-(2,6-dichlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108813139
N-benzhydryl-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 108867549
5-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]thiadiazole-4-carboxylic acid
CID 6917313
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide (CID 108813124) is 4-(3-chlorophenyl)-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide is Cn1nc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1-c1ccccc1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide?
The InChIKey is JCHKACZIJCCFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c1-25-19(16-6-3-2-4-7-16)15-20(24-25)23-21(28)27-12-10-26(11-13-27)18-9-5-8-17(22)14-18/h2-9,14-15H,10-13H2,1H3,(H,23,24,28).
What are the key properties of 4-(3-chlorophenyl)-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 108813124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).