5-(4-chlorophenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide

C19H20ClN3O — CID 46217205

IUPAC5-(4-chlorophenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide
SMILESCC(C)C1=NNC(c2ccc(Cl)cc2)C1C(=O)Nc1ccccc1
InChIInChI=1S/C19H20ClN3O/c1-12(2)17-16(19(24)21-15-6-4-3-5-7-15)18(23-22-17)13-8-10-14(20)11-9-13/h3-12,16,18,23H,1-2H3,(H,21,24)
InChIKeyKYSIYBVVFWXPFK-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.25
Rot. Bonds4

About 5-(4-chlorophenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide

5-(4-chlorophenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide (PubChem CID 46217205) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide
PubChem CID46217205
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name5-(4-chlorophenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide
SMILESCC(C)C1=NNC(c2ccc(Cl)cc2)C1C(=O)Nc1ccccc1
InChIInChI=1S/C19H20ClN3O/c1-12(2)17-16(19(24)21-15-6-4-3-5-7-15)18(23-22-17)13-8-10-14(20)11-9-13/h3-12,16,18,23H,1-2H3,(H,21,24)
InChIKeyKYSIYBVVFWXPFK-UHFFFAOYSA-N
XLogP4.25
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-phenoxyphenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide
CID 46217403
2-acetyl-3-(4-fluorophenyl)-N-phenyl-5-propan-2-yl-3,4-dihydropyrazole-4-carboxamide
CID 46217104
N-(4-chlorophenyl)-2,5-dioxo-4-phenylpyrrolidine-3-carboxamide
CID 139509999
4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 991929
(6S,7R)-6-(4-chlorophenyl)-3-ethyl-N-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
CID 40644160
(6R,7S)-6-(4-chlorophenyl)-N,3-diphenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
CID 40979424
(4S,5R)-4-(4-ethylphenyl)-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide
CID 2429685
1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142356
2-chloro-2-(4-chlorophenyl)-N-phenyl-3H-pyridine-3-carboxamide
CID 142648962
(1S,2S,3R,4S)-4-hydroxy-4-methyl-6-oxo-1-N,3-N-diphenyl-2-(4-propan-2-ylphenyl)cyclohexane-1,3-dicarboxamide
CID 124891226
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
3-(4-chlorophenyl)-N-(4-methylphenyl)pyrazolidine-4-carboxamide
CID 73277699

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide (CID 46217205) is 5-(4-chlorophenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide is CC(C)C1=NNC(c2ccc(Cl)cc2)C1C(=O)Nc1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide?
The InChIKey is KYSIYBVVFWXPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-12(2)17-16(19(24)21-15-6-4-3-5-7-15)18(23-22-17)13-8-10-14(20)11-9-13/h3-12,16,18,23H,1-2H3,(H,21,24).
What are the key properties of 5-(4-chlorophenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide?
5-(4-chlorophenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide has a molecular weight of 341.84 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-phenyl-3-propan-2-yl-4,5-dihydro-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 46217205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).