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

C13H16N2O2 — CID 129411431

IUPAC(3R)-3-phenyl-2-propyl-3,4-dihydropyrazole-5-carboxylic acid
SMILESCCCN1N=C(C(=O)O)C[C@@H]1c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-2-8-15-12(9-11(14-15)13(16)17)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyZQCSZBYTAWCJNU-GFCCVEGCSA-N
MW232.28 g/mol
LogP2.28
Rot. Bonds4

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

(3R)-3-phenyl-2-propyl-3,4-dihydropyrazole-5-carboxylic acid (PubChem CID 129411431) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (3R)-3-phenyl-2-propyl-3,4-dihydropyrazole-5-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-phenyl-2-propyl-3,4-dihydropyrazole-5-carboxylic acid
PubChem CID129411431
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(3R)-3-phenyl-2-propyl-3,4-dihydropyrazole-5-carboxylic acid
SMILESCCCN1N=C(C(=O)O)C[C@@H]1c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-2-8-15-12(9-11(14-15)13(16)17)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyZQCSZBYTAWCJNU-GFCCVEGCSA-N
XLogP2.28
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 14932647
(3S)-2-methyl-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 129410825
1-(2-butyl-3-phenyl-3,4-dihydropyrazol-5-yl)-2-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethanone
CID 123417357
(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)-3-phenyl-2-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-5-carboxylic acid
CID 95657133
N-(2-methylphenyl)-2-propyl-3-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-5-carboxamide
CID 143778916
(3S)-2-(5-chloro-2-methylphenyl)-3-phenyl-3,4-dihydropyrazole-5-carboxylic acid
CID 95657035
(2R,6S)-1-pentyl-2,6-diphenylpiperidine
CID 132552857
2-ethyl-3-pyridin-3-yl-3,4-dihydropyrazole-5-carbonyl chloride
CID 2784612

Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyl-2-propyl-3,4-dihydropyrazole-5-carboxylic acid?
The IUPAC name of (3R)-3-phenyl-2-propyl-3,4-dihydropyrazole-5-carboxylic acid (CID 129411431) is (3R)-3-phenyl-2-propyl-3,4-dihydropyrazole-5-carboxylic acid.
What is the SMILES notation for (3R)-3-phenyl-2-propyl-3,4-dihydropyrazole-5-carboxylic acid?
The canonical SMILES for (3R)-3-phenyl-2-propyl-3,4-dihydropyrazole-5-carboxylic acid is CCCN1N=C(C(=O)O)C[C@@H]1c1ccccc1.
What is the InChIKey of (3R)-3-phenyl-2-propyl-3,4-dihydropyrazole-5-carboxylic acid?
The InChIKey is ZQCSZBYTAWCJNU-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-8-15-12(9-11(14-15)13(16)17)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (3R)-3-phenyl-2-propyl-3,4-dihydropyrazole-5-carboxylic acid?
(3R)-3-phenyl-2-propyl-3,4-dihydropyrazole-5-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-2-propyl-3,4-dihydropyrazole-5-carboxylic acid is sourced from PubChem (CID 129411431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).