2-[1-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid

C18H16FN3O2 — CID 71624968

IUPAC2-[1-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid
SMILESCc1c(CC(=O)O)c(-c2ccncc2)nn1Cc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O2/c1-12-16(10-17(23)24)18(14-6-8-20-9-7-14)21-22(12)11-13-2-4-15(19)5-3-13/h2-9H,10-11H2,1H3,(H,23,24)
InChIKeyXBTPWXUFGNTQBF-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.07
Rot. Bonds5

About 2-[1-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid

2-[1-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid (PubChem CID 71624968) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid
PubChem CID71624968
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid
SMILESCc1c(CC(=O)O)c(-c2ccncc2)nn1Cc1ccc(F)cc1
InChIInChI=1S/C18H16FN3O2/c1-12-16(10-17(23)24)18(14-6-8-20-9-7-14)21-22(12)11-13-2-4-15(19)5-3-13/h2-9H,10-11H2,1H3,(H,23,24)
InChIKeyXBTPWXUFGNTQBF-UHFFFAOYSA-N
XLogP3.07
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

FR-166124
CID 9910335
(2R)-Cyclohexyl[(3S,4S)-3-({4-[1-ethyl-3-(pyridin-3-ylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl}methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl]acetic acid
CID 516305
1H-Pyrazole-4-acetic acid, 1,3-diphenyl-
CID 2356939
{2-[6-Oxo-3-(2-phenyl-pyrazolo[1,5-a]pyridin-3-yl)-6H-pyridazin-1-yl]-cyclopent-1-enyl}-acetic acid
CID 15522348
{2-[6-Oxo-3-(2-phenyl-pyrazolo[1,5-a]pyridin-3-yl)-6H-pyridazin-1-yl]-cyclohept-1-enyl}-acetic acid
CID 15522349
2-[5-Methyl-3-phenyl-1-(quinolin-2-ylmethyl)pyrazol-4-yl]acetic acid
CID 67609133
2-[1-Phenyl-3-[4-(2-phenylethynyl)phenyl]pyrazol-4-yl]acetic acid
CID 71458972
2-[1-[[2-(Benzenesulfonyl)phenyl]methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid
CID 71624966
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-[4-[2-[[Cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]acetic acid
CID 118715122

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid (CID 71624968) is 2-[1-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid is Cc1c(CC(=O)O)c(-c2ccncc2)nn1Cc1ccc(F)cc1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid?
The InChIKey is XBTPWXUFGNTQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-12-16(10-17(23)24)18(14-6-8-20-9-7-14)21-22(12)11-13-2-4-15(19)5-3-13/h2-9H,10-11H2,1H3,(H,23,24).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid?
2-[1-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid has a molecular weight of 325.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 71624968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).