(3S)-3-phenyl-2-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-5-carboxylic acid

C19H20N2O2 — CID 95657133

IUPAC(3S)-3-phenyl-2-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-5-carboxylic acid
SMILESCC(C)c1ccc(N2N=C(C(=O)O)C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C19H20N2O2/c1-13(2)14-8-10-16(11-9-14)21-18(12-17(20-21)19(22)23)15-6-4-3-5-7-15/h3-11,13,18H,12H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyJEVRSSLRXXABDD-SFHVURJKSA-N
MW308.38 g/mol
LogP4.20
Rot. Bonds4

About (3S)-3-phenyl-2-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-5-carboxylic acid

(3S)-3-phenyl-2-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-5-carboxylic acid (PubChem CID 95657133) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (3S)-3-phenyl-2-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-5-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-phenyl-2-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-5-carboxylic acid
PubChem CID95657133
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(3S)-3-phenyl-2-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-5-carboxylic acid
SMILESCC(C)c1ccc(N2N=C(C(=O)O)C[C@H]2c2ccccc2)cc1
InChIInChI=1S/C19H20N2O2/c1-13(2)14-8-10-16(11-9-14)21-18(12-17(20-21)19(22)23)15-6-4-3-5-7-15/h3-11,13,18H,12H2,1-2H3,(H,22,23)/t18-/m0/s1
InChIKeyJEVRSSLRXXABDD-SFHVURJKSA-N
XLogP4.20
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-2-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95656986
(3S)-2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95657115
(3R)-2-(4-fluorophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95657116
(3R)-2-(3-methylphenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95657064
(3S)-2-methyl-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 129410825
sodium 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 24844262
(3S)-2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95657035
2-(3-nitrophenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 75357973
2-(4-bromophenyl)-3-(2-chlorophenyl)-3,4-dihydropyrazole-5-carboxylic acid
CID 118432101
[1-(carbamoylamino)-1-oxopropan-2-yl] 2,3-diphenyl-3,4-dihydropyrazole-5-carboxylate
CID 55560895
(3S)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 25472948
(3R)-3-phenyl-2-propyl-3,4-dihydropyrazole-5-carboxylic acid
CID 129411431

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-2-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-5-carboxylic acid?
The IUPAC name of (3S)-3-phenyl-2-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-5-carboxylic acid (CID 95657133) is (3S)-3-phenyl-2-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-5-carboxylic acid.
What is the SMILES notation for (3S)-3-phenyl-2-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-5-carboxylic acid?
The canonical SMILES for (3S)-3-phenyl-2-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-5-carboxylic acid is CC(C)c1ccc(N2N=C(C(=O)O)C[C@H]2c2ccccc2)cc1.
What is the InChIKey of (3S)-3-phenyl-2-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-5-carboxylic acid?
The InChIKey is JEVRSSLRXXABDD-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13(2)14-8-10-16(11-9-14)21-18(12-17(20-21)19(22)23)15-6-4-3-5-7-15/h3-11,13,18H,12H2,1-2H3,(H,22,23)/t18-/m0/s1.
What are the key properties of (3S)-3-phenyl-2-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-5-carboxylic acid?
(3S)-3-phenyl-2-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-5-carboxylic acid has a molecular weight of 308.38 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-2-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-5-carboxylic acid is sourced from PubChem (CID 95657133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).