(3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid

C16H13ClN2O2 — CID 95656986

IUPAC(3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
SMILESO=C(O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H13ClN2O2/c17-12-6-8-13(9-7-12)19-15(10-14(18-19)16(20)21)11-4-2-1-3-5-11/h1-9,15H,10H2,(H,20,21)/t15-/m1/s1
InChIKeyMWXCWRZVUVDGSI-OAHLLOKOSA-N
MW300.75 g/mol
LogP3.73
Rot. Bonds3

About (3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid

(3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid (PubChem CID 95656986) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is (3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid.

Molecular Properties

Compound Name(3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
PubChem CID95656986
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name(3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
SMILESO=C(O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H13ClN2O2/c17-12-6-8-13(9-7-12)19-15(10-14(18-19)16(20)21)11-4-2-1-3-5-11/h1-9,15H,10H2,(H,20,21)/t15-/m1/s1
InChIKeyMWXCWRZVUVDGSI-OAHLLOKOSA-N
XLogP3.73
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid?
The IUPAC name of (3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid (CID 95656986) is (3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid.
What is the SMILES notation for (3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid?
The canonical SMILES for (3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid is O=C(O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccccc2)C1.
What is the InChIKey of (3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid?
The InChIKey is MWXCWRZVUVDGSI-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-12-6-8-13(9-7-12)19-15(10-14(18-19)16(20)21)11-4-2-1-3-5-11/h1-9,15H,10H2,(H,20,21)/t15-/m1/s1.
What are the key properties of (3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid?
(3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid has a molecular weight of 300.75 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid is sourced from PubChem (CID 95656986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).