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

C15H20N2O2 — CID 82072627

IUPAC2,5-dimethyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4-carboxylic acid
SMILESCC1=NN(C)C(c2ccc(C(C)C)cc2)C1C(=O)O
InChIInChI=1S/C15H20N2O2/c1-9(2)11-5-7-12(8-6-11)14-13(15(18)19)10(3)16-17(14)4/h5-9,13-14H,1-4H3,(H,18,19)
InChIKeyFQULETUUQPNCSH-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.87
Rot. Bonds3

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

2,5-dimethyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4-carboxylic acid (PubChem CID 82072627) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2,5-dimethyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4-carboxylic acid
PubChem CID82072627
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2,5-dimethyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4-carboxylic acid
SMILESCC1=NN(C)C(c2ccc(C(C)C)cc2)C1C(=O)O
InChIInChI=1S/C15H20N2O2/c1-9(2)11-5-7-12(8-6-11)14-13(15(18)19)10(3)16-17(14)4/h5-9,13-14H,1-4H3,(H,18,19)
InChIKeyFQULETUUQPNCSH-UHFFFAOYSA-N
XLogP2.87
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylbenzoyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
CID 91896456
6-[4-(4-methylbenzoyl)-2,3-dioxo-5-(4-propan-2-ylphenyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 123947287
(2S,3S)-1-benzyl-6-oxo-2-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid
CID 40800623
dimethyl-bis(4-propan-2-ylphenyl)silane
CID 59523824
trans-(1R,3R)-2,2-dimethyl-3-(4-propan-2-ylphenyl)cyclopropane-1-carbonyl chloride
CID 54142165
4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848
copper 4-propan-2-ylbenzoic acid
CID 54605006
2-(4-propan-2-ylphenyl)propan-2-ylcarbamic acid
CID 154135405
(3S)-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 94425342
4-(4-propan-2-ylphenyl)pyrazole-3,5-dione
CID 162468857
1-methyl-4-propan-2-ylbenzene;4-propan-2-ylbenzoic acid
CID 143857654
1-methyl-4-propan-2-ylbenzene;prop-2-enoic acid
CID 159804080

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4-carboxylic acid?
The IUPAC name of 2,5-dimethyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4-carboxylic acid (CID 82072627) is 2,5-dimethyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4-carboxylic acid is CC1=NN(C)C(c2ccc(C(C)C)cc2)C1C(=O)O.
What is the InChIKey of 2,5-dimethyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4-carboxylic acid?
The InChIKey is FQULETUUQPNCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9(2)11-5-7-12(8-6-11)14-13(15(18)19)10(3)16-17(14)4/h5-9,13-14H,1-4H3,(H,18,19).
What are the key properties of 2,5-dimethyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4-carboxylic acid?
2,5-dimethyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazole-4-carboxylic acid is sourced from PubChem (CID 82072627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).