N-(3-chlorophenyl)-4-(1-methyl-5-phenylpyrazole-3-carbonyl)piperazine-1-carboxamide

C22H22ClN5O2 — CID 164898192

IUPACN-(3-chlorophenyl)-4-(1-methyl-5-phenylpyrazole-3-carbonyl)piperazine-1-carboxamide
SMILESCn1nc(C(=O)N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1-c1ccccc1
InChIInChI=1S/C22H22ClN5O2/c1-26-20(16-6-3-2-4-7-16)15-19(25-26)21(29)27-10-12-28(13-11-27)22(30)24-18-9-5-8-17(23)14-18/h2-9,14-15H,10-13H2,1H3,(H,24,30)
InChIKeyJKVLHLWIZFDSHW-UHFFFAOYSA-N
MW423.90 g/mol
LogP3.73
Rot. Bonds3

About N-(3-chlorophenyl)-4-(1-methyl-5-phenylpyrazole-3-carbonyl)piperazine-1-carboxamide

N-(3-chlorophenyl)-4-(1-methyl-5-phenylpyrazole-3-carbonyl)piperazine-1-carboxamide (PubChem CID 164898192) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-(1-methyl-5-phenylpyrazole-3-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-(1-methyl-5-phenylpyrazole-3-carbonyl)piperazine-1-carboxamide
PubChem CID164898192
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC NameN-(3-chlorophenyl)-4-(1-methyl-5-phenylpyrazole-3-carbonyl)piperazine-1-carboxamide
SMILESCn1nc(C(=O)N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1-c1ccccc1
InChIInChI=1S/C22H22ClN5O2/c1-26-20(16-6-3-2-4-7-16)15-19(25-26)21(29)27-10-12-28(13-11-27)22(30)24-18-9-5-8-17(23)14-18/h2-9,14-15H,10-13H2,1H3,(H,24,30)
InChIKeyJKVLHLWIZFDSHW-UHFFFAOYSA-N
XLogP3.73
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-methyl-5-phenylpyrazole-3-carbonyl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 164898189
4-(3-chlorophenyl)-N-(1-methyl-5-phenylpyrazol-3-yl)piperazine-1-carboxamide
CID 108813124
1-(3-chlorophenyl)-3-(1-methyl-5-phenylpyrazol-3-yl)urea
CID 108812972
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
4-[5-(4-chlorophenyl)-1-methylpyrazole-3-carbonyl]piperazine-1-carbaldehyde
CID 110336238
N-(3-chlorophenyl)-5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 42879099
N-(3-chlorophenyl)-4-[6-(dimethylamino)pyridazine-3-carbonyl]-1,4-diazepane-1-carboxamide
CID 56511444
N-(3-chlorophenyl)-4-(1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 110813582
[5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110336253
5-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)-1-methylpyrazole-3-carboxamide
CID 110336883
N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
CID 17184978
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-(1-methyl-5-phenylpyrazole-3-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-(1-methyl-5-phenylpyrazole-3-carbonyl)piperazine-1-carboxamide (CID 164898192) is N-(3-chlorophenyl)-4-(1-methyl-5-phenylpyrazole-3-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-(1-methyl-5-phenylpyrazole-3-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-(1-methyl-5-phenylpyrazole-3-carbonyl)piperazine-1-carboxamide is Cn1nc(C(=O)N2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1-c1ccccc1.
What is the InChIKey of N-(3-chlorophenyl)-4-(1-methyl-5-phenylpyrazole-3-carbonyl)piperazine-1-carboxamide?
The InChIKey is JKVLHLWIZFDSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c1-26-20(16-6-3-2-4-7-16)15-19(25-26)21(29)27-10-12-28(13-11-27)22(30)24-18-9-5-8-17(23)14-18/h2-9,14-15H,10-13H2,1H3,(H,24,30).
What are the key properties of N-(3-chlorophenyl)-4-(1-methyl-5-phenylpyrazole-3-carbonyl)piperazine-1-carboxamide?
N-(3-chlorophenyl)-4-(1-methyl-5-phenylpyrazole-3-carbonyl)piperazine-1-carboxamide has a molecular weight of 423.90 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-(1-methyl-5-phenylpyrazole-3-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 164898192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).