1-(2,4-dichlorophenyl)-4-methyl-5-(4-pentylphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide

C27H32Cl2N4O — CID 10141695

IUPAC1-(2,4-dichlorophenyl)-4-methyl-5-(4-pentylphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCCCCCc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C27H32Cl2N4O/c1-3-4-6-9-20-10-12-21(13-11-20)26-19(2)25(27(34)31-32-16-7-5-8-17-32)30-33(26)24-15-14-22(28)18-23(24)29/h10-15,18H,3-9,16-17H2,1-2H3,(H,31,34)
InChIKeyQNVSEQJVWKPOHN-UHFFFAOYSA-N
MW499.49 g/mol
LogP7.02
Rot. Bonds8

About 1-(2,4-dichlorophenyl)-4-methyl-5-(4-pentylphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide

1-(2,4-dichlorophenyl)-4-methyl-5-(4-pentylphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 10141695) has the molecular formula C27H32Cl2N4O and a molecular weight of 499.49 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-methyl-5-(4-pentylphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-methyl-5-(4-pentylphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID10141695
Molecular FormulaC27H32Cl2N4O
Molecular Weight499.49 g/mol
Exact Mass498.20
IUPAC Name1-(2,4-dichlorophenyl)-4-methyl-5-(4-pentylphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCCCCCc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C27H32Cl2N4O/c1-3-4-6-9-20-10-12-21(13-11-20)26-19(2)25(27(34)31-32-16-7-5-8-17-32)30-33(26)24-15-14-22(28)18-23(24)29/h10-15,18H,3-9,16-17H2,1-2H3,(H,31,34)
InChIKeyQNVSEQJVWKPOHN-UHFFFAOYSA-N
XLogP7.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.49
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2,4-dichlorophenyl)-4-methyl-5-(4-pentylphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4-methyl-5-(4-pentylphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-methyl-5-(4-pentylphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide (CID 10141695) is 1-(2,4-dichlorophenyl)-4-methyl-5-(4-pentylphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-methyl-5-(4-pentylphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-methyl-5-(4-pentylphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide is CCCCCc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-methyl-5-(4-pentylphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide?
The InChIKey is QNVSEQJVWKPOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32Cl2N4O/c1-3-4-6-9-20-10-12-21(13-11-20)26-19(2)25(27(34)31-32-16-7-5-8-17-32)30-33(26)24-15-14-22(28)18-23(24)29/h10-15,18H,3-9,16-17H2,1-2H3,(H,31,34).
What are the key properties of 1-(2,4-dichlorophenyl)-4-methyl-5-(4-pentylphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide?
1-(2,4-dichlorophenyl)-4-methyl-5-(4-pentylphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 499.49 g/mol, XLogP of 7.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-4-methyl-5-(4-pentylphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 10141695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).