(4-chlorophenyl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone

C16H10Cl2N2O — CID 12544472

IUPAC(4-chlorophenyl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C16H10Cl2N2O/c17-12-5-1-10(2-6-12)14-9-15(20-19-14)16(21)11-3-7-13(18)8-4-11/h1-9H,(H,19,20)
InChIKeyHILSAEXGHLKHPZ-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.61
Rot. Bonds3

About (4-chlorophenyl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone

(4-chlorophenyl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 12544472) has the molecular formula C16H10Cl2N2O and a molecular weight of 317.18 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
PubChem CID12544472
Molecular FormulaC16H10Cl2N2O
Molecular Weight317.18 g/mol
Exact Mass316.02
IUPAC Name(4-chlorophenyl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C16H10Cl2N2O/c17-12-5-1-10(2-6-12)14-9-15(20-19-14)16(21)11-3-7-13(18)8-4-11/h1-9H,(H,19,20)
InChIKeyHILSAEXGHLKHPZ-UHFFFAOYSA-N
XLogP4.61
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole-5-carboxylic acid
CID 131955014
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
3-(4-chlorophenyl)-N-octadecyl-1H-pyrazole-5-carboxamide
CID 19509334
N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 90908320
dimethyl 2-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]benzene-1,4-dicarboxylate
CID 45030421
N-[(E)-1-(4-bromophenyl)ethylideneamino]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 5343142
N'-[1-(4-chlorophenyl)ethenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 2068775
(4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910976
3-(4-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 39947953
(4-chlorophenyl)-(1H-pyrazol-5-yl)methanone
CID 15880397
N-(1-amino-2-methylpropan-2-yl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 119521772

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone (CID 12544472) is (4-chlorophenyl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone is O=C(c1ccc(Cl)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of (4-chlorophenyl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is HILSAEXGHLKHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O/c17-12-5-1-10(2-6-12)14-9-15(20-19-14)16(21)11-3-7-13(18)8-4-11/h1-9H,(H,19,20).
What are the key properties of (4-chlorophenyl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone?
(4-chlorophenyl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 317.18 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 12544472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).