1-(2,4-dichlorophenyl)-5-phenylpyrazole-3-carboxylate

C16H9Cl2N2O2- — CID 6986761

IUPAC1-(2,4-dichlorophenyl)-5-phenylpyrazole-3-carboxylate
SMILESO=C([O-])c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H10Cl2N2O2/c17-11-6-7-14(12(18)8-11)20-15(9-13(19-20)16(21)22)10-4-2-1-3-5-10/h1-9H,(H,21,22)/p-1
InChIKeyAJFKCJRMHHBFNS-UHFFFAOYSA-M
MW332.17 g/mol
LogP3.21
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-5-phenylpyrazole-3-carboxylate

1-(2,4-dichlorophenyl)-5-phenylpyrazole-3-carboxylate (PubChem CID 6986761) has the molecular formula C16H9Cl2N2O2- and a molecular weight of 332.17 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-5-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-5-phenylpyrazole-3-carboxylate
PubChem CID6986761
Molecular FormulaC16H9Cl2N2O2-
Molecular Weight332.17 g/mol
Exact Mass331.00
IUPAC Name1-(2,4-dichlorophenyl)-5-phenylpyrazole-3-carboxylate
SMILESO=C([O-])c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C16H10Cl2N2O2/c17-11-6-7-14(12(18)8-11)20-15(9-13(19-20)16(21)22)10-4-2-1-3-5-10/h1-9H,(H,21,22)/p-1
InChIKeyAJFKCJRMHHBFNS-UHFFFAOYSA-M
XLogP3.21
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[(2,4-dichlorophenyl)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate;ethyl 1-(2,4-dichlorophenyl)-5-phenylpyrazole-3-carboxylate
CID 68929508
1-(2,4-dichlorophenyl)-3-phenylpyrazol-5-amine
CID 43381347
2-[1-(2,4-dichlorophenyl)-3,5-diphenylpyrazol-4-yl]acetic acid
CID 20542736
1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide
CID 164610011
[(4-acetylpiperazin-1-yl)-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazol-3-yl]methylidene]cyanamide
CID 118470441
N-[amino-[1-(2,4-dichlorophenyl)-5-phenylpyrazol-3-yl]methyl]-4-fluorobenzenesulfonamide
CID 91575687
5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 151622798
1-(3-chloro-2,4-diethylphenyl)-5-phenylpyrazole-3-carboxylic acid
CID 175010005
5-(4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylpyrazole-3-carboxamide
CID 1477268
N-[[1-(2,4-dichlorophenyl)-5-phenylpyrazol-3-yl]-(methylamino)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90695541
1,5-bis(4-chlorophenyl)pyrazole-3-carboxylic acid
CID 1477238
3-(4-chlorophenyl)-1-(2,4-dichlorophenyl)pyrazole-5-carboxylic acid
CID 171559503

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-5-phenylpyrazole-3-carboxylate?
The IUPAC name of 1-(2,4-dichlorophenyl)-5-phenylpyrazole-3-carboxylate (CID 6986761) is 1-(2,4-dichlorophenyl)-5-phenylpyrazole-3-carboxylate.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-5-phenylpyrazole-3-carboxylate?
The canonical SMILES for 1-(2,4-dichlorophenyl)-5-phenylpyrazole-3-carboxylate is O=C([O-])c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-5-phenylpyrazole-3-carboxylate?
The InChIKey is AJFKCJRMHHBFNS-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H10Cl2N2O2/c17-11-6-7-14(12(18)8-11)20-15(9-13(19-20)16(21)22)10-4-2-1-3-5-10/h1-9H,(H,21,22)/p-1.
What are the key properties of 1-(2,4-dichlorophenyl)-5-phenylpyrazole-3-carboxylate?
1-(2,4-dichlorophenyl)-5-phenylpyrazole-3-carboxylate has a molecular weight of 332.17 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-5-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 6986761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).