2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)acetic acid

C10H14FN3O2 — CID 115035957

IUPAC2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)acetic acid
SMILESO=C(O)Cc1cnn(C2CCNCC2)c1F
InChIInChI=1S/C10H14FN3O2/c11-10-7(5-9(15)16)6-13-14(10)8-1-3-12-4-2-8/h6,8,12H,1-5H2,(H,15,16)
InChIKeyCENIQWGVPDZCLE-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.57
Rot. Bonds3

About 2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)acetic acid

2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)acetic acid (PubChem CID 115035957) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)acetic acid
PubChem CID115035957
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)acetic acid
SMILESO=C(O)Cc1cnn(C2CCNCC2)c1F
InChIInChI=1S/C10H14FN3O2/c11-10-7(5-9(15)16)6-13-14(10)8-1-3-12-4-2-8/h6,8,12H,1-5H2,(H,15,16)
InChIKeyCENIQWGVPDZCLE-UHFFFAOYSA-N
XLogP0.57
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)-N-methylethanamine
CID 115035648
ethane;4-(4-ethyl-5-methylpyrazol-1-yl)piperidine
CID 171660480
1-cyclopropyl-5-fluoropyrazole-4-carboxylic acid
CID 115013687
2-(1-cyclopentyl-5-methylpyrazol-4-yl)acetic acid
CID 83883737
[5-fluoro-1-(oxan-4-yl)pyrazol-4-yl]methanamine
CID 115021653
2-(1-cyclohexyl-5-fluoropyrazol-4-yl)ethanamine
CID 115027444
4-(5-fluoro-4-iodopyrazol-1-yl)piperidine-1-carboxylic acid
CID 166745303
ethyl 5-amino-1-piperidin-4-ylpyrazole-4-carboxylate;dihydrochloride
CID 54593650
methyl 2-piperidin-4-ylpyrazole-3-carboxylate;hydrochloride
CID 154866227
1-cyclopropyl-5-fluoro-4-iodopyrazole
CID 167721010
2-[5-methyl-1-(1-methylpyrrolidin-2-yl)pyrazol-4-yl]acetic acid
CID 105480535
1-cyclopropyl-5-fluoropyrazol-4-amine
CID 115011395

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)acetic acid (CID 115035957) is 2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)acetic acid is O=C(O)Cc1cnn(C2CCNCC2)c1F.
What is the InChIKey of 2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)acetic acid?
The InChIKey is CENIQWGVPDZCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c11-10-7(5-9(15)16)6-13-14(10)8-1-3-12-4-2-8/h6,8,12H,1-5H2,(H,15,16).
What are the key properties of 2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)acetic acid?
2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)acetic acid has a molecular weight of 227.24 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 115035957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).