2-[2-(1-cyclopentylpyrazol-3-yl)-5-fluorophenyl]acetic acid

C16H17FN2O2 — CID 167902779

IUPAC2-[2-(1-cyclopentylpyrazol-3-yl)-5-fluorophenyl]acetic acid
SMILESO=C(O)Cc1cc(F)ccc1-c1ccn(C2CCCC2)n1
InChIInChI=1S/C16H17FN2O2/c17-12-5-6-14(11(9-12)10-16(20)21)15-7-8-19(18-15)13-3-1-2-4-13/h5-9,13H,1-4,10H2,(H,20,21)
InChIKeyMMWKVDWUUKHIMW-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.43
Rot. Bonds4

About 2-[2-(1-cyclopentylpyrazol-3-yl)-5-fluorophenyl]acetic acid

2-[2-(1-cyclopentylpyrazol-3-yl)-5-fluorophenyl]acetic acid (PubChem CID 167902779) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[2-(1-cyclopentylpyrazol-3-yl)-5-fluorophenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-cyclopentylpyrazol-3-yl)-5-fluorophenyl]acetic acid
PubChem CID167902779
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-[2-(1-cyclopentylpyrazol-3-yl)-5-fluorophenyl]acetic acid
SMILESO=C(O)Cc1cc(F)ccc1-c1ccn(C2CCCC2)n1
InChIInChI=1S/C16H17FN2O2/c17-12-5-6-14(11(9-12)10-16(20)21)15-7-8-19(18-15)13-3-1-2-4-13/h5-9,13H,1-4,10H2,(H,20,21)
InChIKeyMMWKVDWUUKHIMW-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 166302592
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CID 64785385
2-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpentanoic acid
CID 64785587
1-cyclopentyl-3-(4-fluorophenyl)pyrazole-5-carboxylic acid
CID 82306811
1-cyclopentyl-3-[(4-fluorophenyl)sulfonylmethyl]pyrazole
CID 64779328
2-[2-(cycloheptylamino)-5-fluorophenyl]acetic acid
CID 82304125
1-(3-chloro-4-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 64784321
2-(1-cyclopentyl-7-fluoro-4-oxoquinolin-2-yl)acetic acid
CID 82250433
2-(1-cyclopentylpyrazol-3-yl)-1-(2,5-dichlorophenyl)ethanone
CID 114977374
3-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propanoic acid
CID 64801507
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid
CID 64785188

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-cyclopentylpyrazol-3-yl)-5-fluorophenyl]acetic acid?
The IUPAC name of 2-[2-(1-cyclopentylpyrazol-3-yl)-5-fluorophenyl]acetic acid (CID 167902779) is 2-[2-(1-cyclopentylpyrazol-3-yl)-5-fluorophenyl]acetic acid.
What is the SMILES notation for 2-[2-(1-cyclopentylpyrazol-3-yl)-5-fluorophenyl]acetic acid?
The canonical SMILES for 2-[2-(1-cyclopentylpyrazol-3-yl)-5-fluorophenyl]acetic acid is O=C(O)Cc1cc(F)ccc1-c1ccn(C2CCCC2)n1.
What is the InChIKey of 2-[2-(1-cyclopentylpyrazol-3-yl)-5-fluorophenyl]acetic acid?
The InChIKey is MMWKVDWUUKHIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-12-5-6-14(11(9-12)10-16(20)21)15-7-8-19(18-15)13-3-1-2-4-13/h5-9,13H,1-4,10H2,(H,20,21).
What are the key properties of 2-[2-(1-cyclopentylpyrazol-3-yl)-5-fluorophenyl]acetic acid?
2-[2-(1-cyclopentylpyrazol-3-yl)-5-fluorophenyl]acetic acid has a molecular weight of 288.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-cyclopentylpyrazol-3-yl)-5-fluorophenyl]acetic acid is sourced from PubChem (CID 167902779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).