3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid

C11H12N2O2 — CID 3064503

IUPAC3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid
SMILESCc1ccc(C2=NNC(C(=O)O)C2)cc1
InChIInChI=1S/C11H12N2O2/c1-7-2-4-8(5-3-7)9-6-10(11(14)15)13-12-9/h2-5,10,13H,6H2,1H3,(H,14,15)
InChIKeyHOZQRLDSYOOAJM-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.15
Rot. Bonds2

About 3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid

3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid (PubChem CID 3064503) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid
PubChem CID3064503
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid
SMILESCc1ccc(C2=NNC(C(=O)O)C2)cc1
InChIInChI=1S/C11H12N2O2/c1-7-2-4-8(5-3-7)9-6-10(11(14)15)13-12-9/h2-5,10,13H,6H2,1H3,(H,14,15)
InChIKeyHOZQRLDSYOOAJM-UHFFFAOYSA-N
XLogP1.15
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid (CID 3064503) is 3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid is Cc1ccc(C2=NNC(C(=O)O)C2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid?
The InChIKey is HOZQRLDSYOOAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-2-4-8(5-3-7)9-6-10(11(14)15)13-12-9/h2-5,10,13H,6H2,1H3,(H,14,15).
What are the key properties of 3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid?
3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 3064503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).