5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid

C12H12N2O2 — CID 82471436

IUPAC5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid
SMILESCc1ccccc1-c1c(C(=O)O)n[nH]c1C
InChIInChI=1S/C12H12N2O2/c1-7-5-3-4-6-9(7)10-8(2)13-14-11(10)12(15)16/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyCESTYOYYUDBFSB-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.39
Rot. Bonds2

About 5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid

5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid (PubChem CID 82471436) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid
PubChem CID82471436
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid
SMILESCc1ccccc1-c1c(C(=O)O)n[nH]c1C
InChIInChI=1S/C12H12N2O2/c1-7-5-3-4-6-9(7)10-8(2)13-14-11(10)12(15)16/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyCESTYOYYUDBFSB-UHFFFAOYSA-N
XLogP2.39
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid (CID 82471436) is 5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid is Cc1ccccc1-c1c(C(=O)O)n[nH]c1C.
What is the InChIKey of 5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid?
The InChIKey is CESTYOYYUDBFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-7-5-3-4-6-9(7)10-8(2)13-14-11(10)12(15)16/h3-6H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid?
5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid has a molecular weight of 216.24 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 82471436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).