4-[4-(2-butylpyrazol-3-yl)phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide

C24H27Cl2N5O — CID 133081668

IUPAC4-[4-(2-butylpyrazol-3-yl)phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
SMILESCCCCn1nccc1-c1ccc(N2CCN(C(=O)Nc3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C24H27Cl2N5O/c1-2-3-13-31-22(11-12-27-31)18-7-9-19(10-8-18)29-14-16-30(17-15-29)24(32)28-23-20(25)5-4-6-21(23)26/h4-12H,2-3,13-17H2,1H3,(H,28,32)
InChIKeyNAMBKOIUILEQRN-UHFFFAOYSA-N
MW472.42 g/mol
LogP6.01
Rot. Bonds6

About 4-[4-(2-butylpyrazol-3-yl)phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide

4-[4-(2-butylpyrazol-3-yl)phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide (PubChem CID 133081668) has the molecular formula C24H27Cl2N5O and a molecular weight of 472.42 g/mol. Its IUPAC name is 4-[4-(2-butylpyrazol-3-yl)phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(2-butylpyrazol-3-yl)phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
PubChem CID133081668
Molecular FormulaC24H27Cl2N5O
Molecular Weight472.42 g/mol
Exact Mass471.16
IUPAC Name4-[4-(2-butylpyrazol-3-yl)phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
SMILESCCCCn1nccc1-c1ccc(N2CCN(C(=O)Nc3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C24H27Cl2N5O/c1-2-3-13-31-22(11-12-27-31)18-7-9-19(10-8-18)29-14-16-30(17-15-29)24(32)28-23-20(25)5-4-6-21(23)26/h4-12H,2-3,13-17H2,1H3,(H,28,32)
InChIKeyNAMBKOIUILEQRN-UHFFFAOYSA-N
XLogP6.01
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.42
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(2-butylpyrazol-3-yl)phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide 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-(2,6-Dichloro-4-pyridinyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea
CID 164608769
1-(3,5-Dichlorophenyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea
CID 164623189
5-[4-(4-methylpiperazino)phenyl]-N-phenyl-1H-pyrazole-1-carboxamide
CID 4264966
N-(2,4-dichlorophenyl)-N'-(1-phenyl-5-propyl-1H-pyrazol-4-yl)urea
CID 2807999
N-[2-[3-(3-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155518263
N-[2-[3-(2-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155529309
N-[2-[3-(4-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155555275
4-(2-chlorophenyl)-N-(1H-indazol-6-yl)piperazine-1-carboxamide
CID 168283548
4-(2-chlorophenyl)-N-(1H-indazol-4-yl)piperazine-1-carboxamide
CID 168290863
N-(4-chlorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121483917
N-(4-chloro-3-fluorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484093
N-(3-chlorophenyl)-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484099

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-butylpyrazol-3-yl)phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[4-(2-butylpyrazol-3-yl)phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide (CID 133081668) is 4-[4-(2-butylpyrazol-3-yl)phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(2-butylpyrazol-3-yl)phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[4-(2-butylpyrazol-3-yl)phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide is CCCCn1nccc1-c1ccc(N2CCN(C(=O)Nc3c(Cl)cccc3Cl)CC2)cc1.
What is the InChIKey of 4-[4-(2-butylpyrazol-3-yl)phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide?
The InChIKey is NAMBKOIUILEQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N5O/c1-2-3-13-31-22(11-12-27-31)18-7-9-19(10-8-18)29-14-16-30(17-15-29)24(32)28-23-20(25)5-4-6-21(23)26/h4-12H,2-3,13-17H2,1H3,(H,28,32).
What are the key properties of 4-[4-(2-butylpyrazol-3-yl)phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide?
4-[4-(2-butylpyrazol-3-yl)phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide has a molecular weight of 472.42 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-butylpyrazol-3-yl)phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 133081668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).