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

C18H15FN2O2 — CID 71457068

IUPAC4-[[3-(3-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1Cc1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C18H15FN2O2/c1-11-16(17(18(22)23)21-20-11)9-12-4-2-5-13(8-12)14-6-3-7-15(19)10-14/h2-8,10H,9H2,1H3,(H,20,21)(H,22,23)
InChIKeyIIPZVPXHUFWPFQ-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.81
Rot. Bonds4

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

4-[[3-(3-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxylic acid (PubChem CID 71457068) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 4-[[3-(3-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(3-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxylic acid
PubChem CID71457068
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name4-[[3-(3-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxylic acid
SMILESCc1[nH]nc(C(=O)O)c1Cc1cccc(-c2cccc(F)c2)c1
InChIInChI=1S/C18H15FN2O2/c1-11-16(17(18(22)23)21-20-11)9-12-4-2-5-13(8-12)14-6-3-7-15(19)10-14/h2-8,10H,9H2,1H3,(H,20,21)(H,22,23)
InChIKeyIIPZVPXHUFWPFQ-UHFFFAOYSA-N
XLogP3.81
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-[[3-(3-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxylic acid (CID 71457068) is 4-[[3-(3-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-[[3-(3-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-[[3-(3-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxylic acid is Cc1[nH]nc(C(=O)O)c1Cc1cccc(-c2cccc(F)c2)c1.
What is the InChIKey of 4-[[3-(3-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is IIPZVPXHUFWPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-11-16(17(18(22)23)21-20-11)9-12-4-2-5-13(8-12)14-6-3-7-15(19)10-14/h2-8,10H,9H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-[[3-(3-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxylic acid?
4-[[3-(3-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 310.33 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-fluorophenyl)phenyl]methyl]-5-methyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 71457068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).