4-[(3-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxylic acid

C12H11FN2O2 — CID 71458931

IUPAC4-[(3-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1Cc1cccc(F)c1
InChIInChI=1S/C12H11FN2O2/c1-7-10(11(12(16)17)15-14-7)6-8-3-2-4-9(13)5-8/h2-5H,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyFAZNOOWWVWDLCO-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.15
Rot. Bonds3

About 4-[(3-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxylic acid

4-[(3-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxylic acid (PubChem CID 71458931) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxylic acid
PubChem CID71458931
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name4-[(3-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1Cc1cccc(F)c1
InChIInChI=1S/C12H11FN2O2/c1-7-10(11(12(16)17)15-14-7)6-8-3-2-4-9(13)5-8/h2-5H,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyFAZNOOWWVWDLCO-UHFFFAOYSA-N
XLogP2.15
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxylic acid (CID 71458931) is 4-[(3-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxylic acid is Cc1[nH]nc(C(=O)O)c1Cc1cccc(F)c1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is FAZNOOWWVWDLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-7-10(11(12(16)17)15-14-7)6-8-3-2-4-9(13)5-8/h2-5H,6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-[(3-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
4-[(3-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 234.23 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-5-methyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 71458931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).