N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

C19H17Cl2N3O2 — CID 56581255

IUPACN-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2cc(Cl)ccc2O)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H17Cl2N3O2/c1-11(2)18-15(10-22-24(18)14-6-3-12(20)4-7-14)19(26)23-16-9-13(21)5-8-17(16)25/h3-11,25H,1-2H3,(H,23,26)
InChIKeyKLFHAGSLMRXVQW-UHFFFAOYSA-N
MW390.27 g/mol
LogP5.26
Rot. Bonds4

About N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 56581255) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID56581255
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2cc(Cl)ccc2O)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H17Cl2N3O2/c1-11(2)18-15(10-22-24(18)14-6-3-12(20)4-7-14)19(26)23-16-9-13(21)5-8-17(16)25/h3-11,25H,1-2H3,(H,23,26)
InChIKeyKLFHAGSLMRXVQW-UHFFFAOYSA-N
XLogP5.26
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.27
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-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-(4-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 43057524
N-[3-(carbamoylamino)phenyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31814455
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119383145
1-(3-chlorophenyl)-N-(2,4-difluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55576681
N-(3-acetamido-4-methoxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 37081472
1-(4-chlorophenyl)-N-(3-hydroxypropyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 78854387
1-(4-chlorophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 39694176
N-(3-aminobutyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119496336
N-(2-benzamidoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31839795
1-(4-chlorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55585824
1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55676094
1-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55585196

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 56581255) is N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)Nc2cc(Cl)ccc2O)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is KLFHAGSLMRXVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-11(2)18-15(10-22-24(18)14-6-3-12(20)4-7-14)19(26)23-16-9-13(21)5-8-17(16)25/h3-11,25H,1-2H3,(H,23,26).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 390.27 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 56581255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).