(4-chlorophenyl)-(3,4-diphenyl-1H-pyrazol-5-yl)methanone

C22H15ClN2O — CID 72943245

IUPAC(4-chlorophenyl)-(3,4-diphenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1[nH]nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H15ClN2O/c23-18-13-11-17(12-14-18)22(26)21-19(15-7-3-1-4-8-15)20(24-25-21)16-9-5-2-6-10-16/h1-14H,(H,24,25)
InChIKeyGSNSLPAOFDZLDA-UHFFFAOYSA-N
MW358.83 g/mol
LogP5.63
Rot. Bonds4

About (4-chlorophenyl)-(3,4-diphenyl-1H-pyrazol-5-yl)methanone

(4-chlorophenyl)-(3,4-diphenyl-1H-pyrazol-5-yl)methanone (PubChem CID 72943245) has the molecular formula C22H15ClN2O and a molecular weight of 358.83 g/mol. Its IUPAC name is (4-chlorophenyl)-(3,4-diphenyl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(3,4-diphenyl-1H-pyrazol-5-yl)methanone
PubChem CID72943245
Molecular FormulaC22H15ClN2O
Molecular Weight358.83 g/mol
Exact Mass358.09
IUPAC Name(4-chlorophenyl)-(3,4-diphenyl-1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1[nH]nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H15ClN2O/c23-18-13-11-17(12-14-18)22(26)21-19(15-7-3-1-4-8-15)20(24-25-21)16-9-5-2-6-10-16/h1-14H,(H,24,25)
InChIKeyGSNSLPAOFDZLDA-UHFFFAOYSA-N
XLogP5.63
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.83
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide
CID 3123525
3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 47170036
4-amino-N-[(E)-benzylideneamino]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 127027867
4-amino-3-(4-chlorophenyl)-N-[(E)-(4-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 127027869
Ketone, 4-amino-5-phenyl-3-pyrazolyl phenyl
CID 13303395
3-(4-chlorophenyl)-1H-pyrazole-5-carbaldehyde
CID 25224140
N'-(4-chlorobenzylidene)-3-(2-naphthyl)-1H-pyrazole-5-carbohydrazide
CID 5342753
(E)-N'-(4-chlorobenzylidene)-3-(4-chlorophenyl)-1H-pyrazole-5-carbohydrazide
CID 6862381
3-(4-chlorophenyl)-N'-[(E)-(2-chlorophenyl)methylidene]-1H-pyrazole-5-carbohydrazide
CID 6877836
N-[(E)-benzylideneamino]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 9625281
3-(4-chlorophenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 712794
Ketone, phenyl 5-phenylpyrazol-3-yl
CID 619103

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3,4-diphenyl-1H-pyrazol-5-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(3,4-diphenyl-1H-pyrazol-5-yl)methanone (CID 72943245) is (4-chlorophenyl)-(3,4-diphenyl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(3,4-diphenyl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(3,4-diphenyl-1H-pyrazol-5-yl)methanone is O=C(c1ccc(Cl)cc1)c1[nH]nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of (4-chlorophenyl)-(3,4-diphenyl-1H-pyrazol-5-yl)methanone?
The InChIKey is GSNSLPAOFDZLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O/c23-18-13-11-17(12-14-18)22(26)21-19(15-7-3-1-4-8-15)20(24-25-21)16-9-5-2-6-10-16/h1-14H,(H,24,25).
What are the key properties of (4-chlorophenyl)-(3,4-diphenyl-1H-pyrazol-5-yl)methanone?
(4-chlorophenyl)-(3,4-diphenyl-1H-pyrazol-5-yl)methanone has a molecular weight of 358.83 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3,4-diphenyl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 72943245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).