2-phenyl-1,3-dihydropyrazole-4-carboxylic acid

C10H10N2O2 — CID 66926273

IUPAC2-phenyl-1,3-dihydropyrazole-4-carboxylic acid
SMILESO=C(O)C1=CNN(c2ccccc2)C1
InChIInChI=1S/C10H10N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-6,11H,7H2,(H,13,14)
InChIKeyXQMSLYCTJLAQIP-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.98
Rot. Bonds2

About 2-phenyl-1,3-dihydropyrazole-4-carboxylic acid

2-phenyl-1,3-dihydropyrazole-4-carboxylic acid (PubChem CID 66926273) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-phenyl-1,3-dihydropyrazole-4-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-1,3-dihydropyrazole-4-carboxylic acid
PubChem CID66926273
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-phenyl-1,3-dihydropyrazole-4-carboxylic acid
SMILESO=C(O)C1=CNN(c2ccccc2)C1
InChIInChI=1S/C10H10N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-6,11H,7H2,(H,13,14)
InChIKeyXQMSLYCTJLAQIP-UHFFFAOYSA-N
XLogP0.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3-dihydropyrazole-4-carboxylic acid?
The IUPAC name of 2-phenyl-1,3-dihydropyrazole-4-carboxylic acid (CID 66926273) is 2-phenyl-1,3-dihydropyrazole-4-carboxylic acid.
What is the SMILES notation for 2-phenyl-1,3-dihydropyrazole-4-carboxylic acid?
The canonical SMILES for 2-phenyl-1,3-dihydropyrazole-4-carboxylic acid is O=C(O)C1=CNN(c2ccccc2)C1.
What is the InChIKey of 2-phenyl-1,3-dihydropyrazole-4-carboxylic acid?
The InChIKey is XQMSLYCTJLAQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-10(14)8-6-11-12(7-8)9-4-2-1-3-5-9/h1-6,11H,7H2,(H,13,14).
What are the key properties of 2-phenyl-1,3-dihydropyrazole-4-carboxylic acid?
2-phenyl-1,3-dihydropyrazole-4-carboxylic acid has a molecular weight of 190.20 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-dihydropyrazole-4-carboxylic acid is sourced from PubChem (CID 66926273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).