1-(4-fluoro-2-methylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid

C14H15FN2O3 — CID 43318050

IUPAC1-(4-fluoro-2-methylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid
SMILESCc1cc(F)ccc1-n1cc(CCCO)c(C(=O)O)n1
InChIInChI=1S/C14H15FN2O3/c1-9-7-11(15)4-5-12(9)17-8-10(3-2-6-18)13(16-17)14(19)20/h4-5,7-8,18H,2-3,6H2,1H3,(H,19,20)
InChIKeyLBDKLKCFGTVPJP-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.94
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid

1-(4-fluoro-2-methylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid (PubChem CID 43318050) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid
PubChem CID43318050
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name1-(4-fluoro-2-methylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid
SMILESCc1cc(F)ccc1-n1cc(CCCO)c(C(=O)O)n1
InChIInChI=1S/C14H15FN2O3/c1-9-7-11(15)4-5-12(9)17-8-10(3-2-6-18)13(16-17)14(19)20/h4-5,7-8,18H,2-3,6H2,1H3,(H,19,20)
InChIKeyLBDKLKCFGTVPJP-UHFFFAOYSA-N
XLogP1.94
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid (CID 43318050) is 1-(4-fluoro-2-methylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid is Cc1cc(F)ccc1-n1cc(CCCO)c(C(=O)O)n1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid?
The InChIKey is LBDKLKCFGTVPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-9-7-11(15)4-5-12(9)17-8-10(3-2-6-18)13(16-17)14(19)20/h4-5,7-8,18H,2-3,6H2,1H3,(H,19,20).
What are the key properties of 1-(4-fluoro-2-methylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid?
1-(4-fluoro-2-methylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid has a molecular weight of 278.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-4-(3-hydroxypropyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 43318050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).