4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2,6-dichlorobenzoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide

C23H19Cl4N5O3 — CID 91939017

IUPAC4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2,6-dichlorobenzoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C23H19Cl4N5O3/c24-13-3-1-4-14(25)18(13)21(33)30-17-11-28-31-20(17)22(34)29-12-7-9-32(10-8-12)23(35)19-15(26)5-2-6-16(19)27/h1-6,11-12H,7-10H2,(H,28,31)(H,29,34)(H,30,33)
InChIKeyXNPRAPJPBIIPNU-UHFFFAOYSA-N
MW555.25 g/mol
LogP5.31
Rot. Bonds5

About 4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2,6-dichlorobenzoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide

4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2,6-dichlorobenzoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 91939017) has the molecular formula C23H19Cl4N5O3 and a molecular weight of 555.25 g/mol. Its IUPAC name is 4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2,6-dichlorobenzoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2,6-dichlorobenzoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID91939017
Molecular FormulaC23H19Cl4N5O3
Molecular Weight555.25 g/mol
Exact Mass553.02
IUPAC Name4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2,6-dichlorobenzoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C23H19Cl4N5O3/c24-13-3-1-4-14(25)18(13)21(33)30-17-11-28-31-20(17)22(34)29-12-7-9-32(10-8-12)23(35)19-15(26)5-2-6-16(19)27/h1-6,11-12H,7-10H2,(H,28,31)(H,29,34)(H,30,33)
InChIKeyXNPRAPJPBIIPNU-UHFFFAOYSA-N
XLogP5.31
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.25
LogP ≤ 55.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2,6-dichlorobenzoyl)piperidin-4-yl]-1H-pyrazole-5-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 4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2,6-dichlorobenzoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2,6-dichlorobenzoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide (CID 91939017) is 4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2,6-dichlorobenzoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2,6-dichlorobenzoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2,6-dichlorobenzoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide is O=C(NC1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2,6-dichlorobenzoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is XNPRAPJPBIIPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl4N5O3/c24-13-3-1-4-14(25)18(13)21(33)30-17-11-28-31-20(17)22(34)29-12-7-9-32(10-8-12)23(35)19-15(26)5-2-6-16(19)27/h1-6,11-12H,7-10H2,(H,28,31)(H,29,34)(H,30,33).
What are the key properties of 4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2,6-dichlorobenzoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide?
4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2,6-dichlorobenzoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 555.25 g/mol, XLogP of 5.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2,6-dichlorobenzoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91939017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).