(1-phenylpyrazol-3-yl) 2,4-dichlorobenzoate

C16H10Cl2N2O2 — CID 139593811

IUPAC(1-phenylpyrazol-3-yl) 2,4-dichlorobenzoate
SMILESO=C(Oc1ccn(-c2ccccc2)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl2N2O2/c17-11-6-7-13(14(18)10-11)16(21)22-15-8-9-20(19-15)12-4-2-1-3-5-12/h1-10H
InChIKeyLZFKLLJJDACDKK-UHFFFAOYSA-N
MW333.17 g/mol
LogP4.40
Rot. Bonds3

About (1-phenylpyrazol-3-yl) 2,4-dichlorobenzoate

(1-phenylpyrazol-3-yl) 2,4-dichlorobenzoate (PubChem CID 139593811) has the molecular formula C16H10Cl2N2O2 and a molecular weight of 333.17 g/mol. Its IUPAC name is (1-phenylpyrazol-3-yl) 2,4-dichlorobenzoate.

Molecular Properties

Compound Name(1-phenylpyrazol-3-yl) 2,4-dichlorobenzoate
PubChem CID139593811
Molecular FormulaC16H10Cl2N2O2
Molecular Weight333.17 g/mol
Exact Mass332.01
IUPAC Name(1-phenylpyrazol-3-yl) 2,4-dichlorobenzoate
SMILESO=C(Oc1ccn(-c2ccccc2)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl2N2O2/c17-11-6-7-13(14(18)10-11)16(21)22-15-8-9-20(19-15)12-4-2-1-3-5-12/h1-10H
InChIKeyLZFKLLJJDACDKK-UHFFFAOYSA-N
XLogP4.40
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-oxo-1,2-diphenylpyrimidin-4-yl) 2,4-dichlorobenzoate
CID 3430707
(2,6-dimethylpyrimidin-4-yl) 2,4-dichlorobenzoate
CID 1476061
2,4-dichloro-N-(1-phenylpyridazin-4-ylidene)benzamide
CID 13206641
(3,4-dichlorophenyl) 2,4-dichlorobenzoate
CID 2805035
[3-methyl-4-(4-methylphenyl)sulfanyl-1-phenylpyrazol-5-yl] 2,4-dichlorobenzoate
CID 3651847
[5-[5-[(2,4-dichlorobenzoyl)oxymethyl]-1-phenyltriazol-4-yl]-3-phenyltriazol-4-yl]methyl 2,4-dichlorobenzoate
CID 15096182
[5-amino-1-(4-chlorophenyl)sulfonylpyrazol-3-yl] 2,4-dichlorobenzoate
CID 4292383
3-(2,4-dichlorobenzoyl)oxybenzoic acid
CID 54854766
(2-methoxycarbonylphenyl) 2,4-dichlorobenzoate
CID 837741
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl) 2,4-dichlorobenzoate
CID 134105910
prop-1-en-2-yl 2,4-dichlorobenzoate
CID 89323884
(2,4-dichlorophenyl) 2-hydroxybenzoate
CID 520433

Frequently Asked Questions

What is the IUPAC name of (1-phenylpyrazol-3-yl) 2,4-dichlorobenzoate?
The IUPAC name of (1-phenylpyrazol-3-yl) 2,4-dichlorobenzoate (CID 139593811) is (1-phenylpyrazol-3-yl) 2,4-dichlorobenzoate.
What is the SMILES notation for (1-phenylpyrazol-3-yl) 2,4-dichlorobenzoate?
The canonical SMILES for (1-phenylpyrazol-3-yl) 2,4-dichlorobenzoate is O=C(Oc1ccn(-c2ccccc2)n1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (1-phenylpyrazol-3-yl) 2,4-dichlorobenzoate?
The InChIKey is LZFKLLJJDACDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2/c17-11-6-7-13(14(18)10-11)16(21)22-15-8-9-20(19-15)12-4-2-1-3-5-12/h1-10H.
What are the key properties of (1-phenylpyrazol-3-yl) 2,4-dichlorobenzoate?
(1-phenylpyrazol-3-yl) 2,4-dichlorobenzoate has a molecular weight of 333.17 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpyrazol-3-yl) 2,4-dichlorobenzoate is sourced from PubChem (CID 139593811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).