5-[2-(4-fluoro-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid

C14H15FN2O2 — CID 82485491

IUPAC5-[2-(4-fluoro-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid
SMILESCc1cc(C(C)(C)c2cc(C(=O)O)n[nH]2)ccc1F
InChIInChI=1S/C14H15FN2O2/c1-8-6-9(4-5-10(8)15)14(2,3)12-7-11(13(18)19)16-17-12/h4-7H,1-3H3,(H,16,17)(H,18,19)
InChIKeyIUNSQGYQDKMORR-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.88
Rot. Bonds3

About 5-[2-(4-fluoro-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid

5-[2-(4-fluoro-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid (PubChem CID 82485491) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 5-[2-(4-fluoro-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(4-fluoro-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid
PubChem CID82485491
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name5-[2-(4-fluoro-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid
SMILESCc1cc(C(C)(C)c2cc(C(=O)O)n[nH]2)ccc1F
InChIInChI=1S/C14H15FN2O2/c1-8-6-9(4-5-10(8)15)14(2,3)12-7-11(13(18)19)16-17-12/h4-7H,1-3H3,(H,16,17)(H,18,19)
InChIKeyIUNSQGYQDKMORR-UHFFFAOYSA-N
XLogP2.88
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid (CID 82485491) is 5-[2-(4-fluoro-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-(4-fluoro-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-[2-(4-fluoro-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid is Cc1cc(C(C)(C)c2cc(C(=O)O)n[nH]2)ccc1F.
What is the InChIKey of 5-[2-(4-fluoro-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid?
The InChIKey is IUNSQGYQDKMORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-8-6-9(4-5-10(8)15)14(2,3)12-7-11(13(18)19)16-17-12/h4-7H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 5-[2-(4-fluoro-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid?
5-[2-(4-fluoro-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid has a molecular weight of 262.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluoro-3-methylphenyl)propan-2-yl]-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 82485491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).