3-(4-chlorophenyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide

C20H20ClN3O2 — CID 19509385

IUPAC3-(4-chlorophenyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(O)c(C(C)C)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C20H20ClN3O2/c1-11(2)15-9-16(12(3)8-19(15)25)22-20(26)18-10-17(23-24-18)13-4-6-14(21)7-5-13/h4-11,25H,1-3H3,(H,22,26)(H,23,24)
InChIKeyXUYKYAVTKIOVDQ-UHFFFAOYSA-N
MW369.85 g/mol
LogP5.12
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19509385) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19509385
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name3-(4-chlorophenyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(O)c(C(C)C)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C20H20ClN3O2/c1-11(2)15-9-16(12(3)8-19(15)25)22-20(26)18-10-17(23-24-18)13-4-6-14(21)7-5-13/h4-11,25H,1-3H3,(H,22,26)(H,23,24)
InChIKeyXUYKYAVTKIOVDQ-UHFFFAOYSA-N
XLogP5.12
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.85
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 19509413
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
N-(4-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087363
N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087364
N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 90908320
3-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19509351
2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide
CID 138811101
N-(3-carbamoyl-2-methylphenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 34577805
dimethyl 2-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]benzene-1,4-dicarboxylate
CID 45030421
4-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266753
N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030500
1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 19268513

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide (CID 19509385) is 3-(4-chlorophenyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide is Cc1cc(O)c(C(C)C)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is XUYKYAVTKIOVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-11(2)15-9-16(12(3)8-19(15)25)22-20(26)18-10-17(23-24-18)13-4-6-14(21)7-5-13/h4-11,25H,1-3H3,(H,22,26)(H,23,24).
What are the key properties of 3-(4-chlorophenyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 5.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19509385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).