4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butanoic acid

C18H16FN3O2 — CID 11267326

IUPAC4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butanoic acid
SMILESO=C(O)CCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C18H16FN3O2/c19-14-6-4-13(5-7-14)18-17(12-8-10-20-11-9-12)15(21-22-18)2-1-3-16(23)24/h4-11H,1-3H2,(H,21,22)(H,23,24)
InChIKeyUUGULVILQBJSQP-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.69
Rot. Bonds6

About 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butanoic acid

4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butanoic acid (PubChem CID 11267326) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butanoic acid.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butanoic acid
PubChem CID11267326
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butanoic acid
SMILESO=C(O)CCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C18H16FN3O2/c19-14-6-4-13(5-7-14)18-17(12-8-10-20-11-9-12)15(21-22-18)2-1-3-16(23)24/h4-11H,1-3H2,(H,21,22)(H,23,24)
InChIKeyUUGULVILQBJSQP-UHFFFAOYSA-N
XLogP3.69
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[Bis(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid
CID 71624967
2-[1-[Bis(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-yl]acetic acid
CID 71624969
2-[1-[Bis(4-fluorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-5-methylpyrazol-4-yl]acetic acid
CID 73348867
2-(5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrrol-2-yl)acetic acid
CID 44411409
2-[1-[(4-Fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid
CID 71624968
1-Pyridin-4-yl-4,5,6,7-tetrahydroindazole-5-carboxylic acid
CID 12484377
1-[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70706767
2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-[4-(1H-pyrazol-5-yl)phenyl]acetic acid
CID 72880555
1,3-Diphenylpyrazole-4-propionic acid
CID 13661654
cis-(1S,2R)-2-[[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-[3-(1H-pyrazol-5-yl)phenyl]methyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 171096840
8-Azatryptophan
CID 3082879
3-(3-Aminophenyl)-1-phenyl-1H-pyrazole-4-propanoic acid
CID 2377176

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butanoic acid?
The IUPAC name of 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butanoic acid (CID 11267326) is 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butanoic acid.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butanoic acid?
The canonical SMILES for 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butanoic acid is O=C(O)CCCc1[nH]nc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butanoic acid?
The InChIKey is UUGULVILQBJSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-14-6-4-13(5-7-14)18-17(12-8-10-20-11-9-12)15(21-22-18)2-1-3-16(23)24/h4-11H,1-3H2,(H,21,22)(H,23,24).
What are the key properties of 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butanoic acid?
4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butanoic acid has a molecular weight of 325.34 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butanoic acid is sourced from PubChem (CID 11267326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).