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

C22H22Cl2N4O2 — CID 135512802

IUPAC1-(2,4-dichlorophenyl)-5-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(O)cc1
InChIInChI=1S/C22H22Cl2N4O2/c1-14-20(22(30)26-27-11-3-2-4-12-27)25-28(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(29)9-6-15/h5-10,13,29H,2-4,11-12H2,1H3,(H,26,30)
InChIKeyLMAWZMCTVCMTPC-UHFFFAOYSA-N
MW445.35 g/mol
LogP4.99
Rot. Bonds4

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

1-(2,4-dichlorophenyl)-5-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 135512802) has the molecular formula C22H22Cl2N4O2 and a molecular weight of 445.35 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-5-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-5-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID135512802
Molecular FormulaC22H22Cl2N4O2
Molecular Weight445.35 g/mol
Exact Mass444.11
IUPAC Name1-(2,4-dichlorophenyl)-5-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(O)cc1
InChIInChI=1S/C22H22Cl2N4O2/c1-14-20(22(30)26-27-11-3-2-4-12-27)25-28(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(29)9-6-15/h5-10,13,29H,2-4,11-12H2,1H3,(H,26,30)
InChIKeyLMAWZMCTVCMTPC-UHFFFAOYSA-N
XLogP4.99
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.35
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-dichlorophenyl)-5-(4-hydroxyphenyl)-4-methyl-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)-5-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-5-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide (CID 135512802) is 1-(2,4-dichlorophenyl)-5-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-5-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-5-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide is Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(O)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-5-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The InChIKey is LMAWZMCTVCMTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O2/c1-14-20(22(30)26-27-11-3-2-4-12-27)25-28(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(29)9-6-15/h5-10,13,29H,2-4,11-12H2,1H3,(H,26,30).
What are the key properties of 1-(2,4-dichlorophenyl)-5-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide?
1-(2,4-dichlorophenyl)-5-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 445.35 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-5-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 135512802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).