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

C25H30Cl2N4OS — CID 25052855

IUPAC1-(2,4-dichlorophenyl)-4-methyl-5-(5-pentylthiophen-2-yl)-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCCCCCc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C25H30Cl2N4OS/c1-3-4-6-9-19-11-13-22(33-19)24-17(2)23(25(32)29-30-14-7-5-8-15-30)28-31(24)21-12-10-18(26)16-20(21)27/h10-13,16H,3-9,14-15H2,1-2H3,(H,29,32)
InChIKeyDNCAQTJFFOGJNV-UHFFFAOYSA-N
MW505.52 g/mol
LogP7.08
Rot. Bonds8

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

1-(2,4-dichlorophenyl)-4-methyl-5-(5-pentylthiophen-2-yl)-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 25052855) has the molecular formula C25H30Cl2N4OS and a molecular weight of 505.52 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-methyl-5-(5-pentylthiophen-2-yl)-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-methyl-5-(5-pentylthiophen-2-yl)-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID25052855
Molecular FormulaC25H30Cl2N4OS
Molecular Weight505.52 g/mol
Exact Mass504.15
IUPAC Name1-(2,4-dichlorophenyl)-4-methyl-5-(5-pentylthiophen-2-yl)-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCCCCCc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C25H30Cl2N4OS/c1-3-4-6-9-19-11-13-22(33-19)24-17(2)23(25(32)29-30-14-7-5-8-15-30)28-31(24)21-12-10-18(26)16-20(21)27/h10-13,16H,3-9,14-15H2,1-2H3,(H,29,32)
InChIKeyDNCAQTJFFOGJNV-UHFFFAOYSA-N
XLogP7.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.52
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4-methyl-5-(5-pentylthiophen-2-yl)-N-piperidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-methyl-5-(5-pentylthiophen-2-yl)-N-piperidin-1-ylpyrazole-3-carboxamide (CID 25052855) is 1-(2,4-dichlorophenyl)-4-methyl-5-(5-pentylthiophen-2-yl)-N-piperidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-methyl-5-(5-pentylthiophen-2-yl)-N-piperidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-methyl-5-(5-pentylthiophen-2-yl)-N-piperidin-1-ylpyrazole-3-carboxamide is CCCCCc1ccc(-c2c(C)c(C(=O)NN3CCCCC3)nn2-c2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-methyl-5-(5-pentylthiophen-2-yl)-N-piperidin-1-ylpyrazole-3-carboxamide?
The InChIKey is DNCAQTJFFOGJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2N4OS/c1-3-4-6-9-19-11-13-22(33-19)24-17(2)23(25(32)29-30-14-7-5-8-15-30)28-31(24)21-12-10-18(26)16-20(21)27/h10-13,16H,3-9,14-15H2,1-2H3,(H,29,32).
What are the key properties of 1-(2,4-dichlorophenyl)-4-methyl-5-(5-pentylthiophen-2-yl)-N-piperidin-1-ylpyrazole-3-carboxamide?
1-(2,4-dichlorophenyl)-4-methyl-5-(5-pentylthiophen-2-yl)-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 505.52 g/mol, XLogP of 7.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-4-methyl-5-(5-pentylthiophen-2-yl)-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 25052855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).