4-[5-cyano-4-(hydroxymethyl)pyrazol-1-yl]-3-fluoropiperidine-1-carboxylic acid

C11H13FN4O3 — CID 67609601

IUPAC4-[5-cyano-4-(hydroxymethyl)pyrazol-1-yl]-3-fluoropiperidine-1-carboxylic acid
SMILESN#Cc1c(CO)cnn1C1CCN(C(=O)O)CC1F
InChIInChI=1S/C11H13FN4O3/c12-8-5-15(11(18)19)2-1-9(8)16-10(3-13)7(6-17)4-14-16/h4,8-9,17H,1-2,5-6H2,(H,18,19)
InChIKeyGWQWFTSLFAZZDQ-UHFFFAOYSA-N
MW268.25 g/mol
LogP0.51
Rot. Bonds2

About 4-[5-cyano-4-(hydroxymethyl)pyrazol-1-yl]-3-fluoropiperidine-1-carboxylic acid

4-[5-cyano-4-(hydroxymethyl)pyrazol-1-yl]-3-fluoropiperidine-1-carboxylic acid (PubChem CID 67609601) has the molecular formula C11H13FN4O3 and a molecular weight of 268.25 g/mol. Its IUPAC name is 4-[5-cyano-4-(hydroxymethyl)pyrazol-1-yl]-3-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-cyano-4-(hydroxymethyl)pyrazol-1-yl]-3-fluoropiperidine-1-carboxylic acid
PubChem CID67609601
Molecular FormulaC11H13FN4O3
Molecular Weight268.25 g/mol
Exact Mass268.10
IUPAC Name4-[5-cyano-4-(hydroxymethyl)pyrazol-1-yl]-3-fluoropiperidine-1-carboxylic acid
SMILESN#Cc1c(CO)cnn1C1CCN(C(=O)O)CC1F
InChIInChI=1S/C11H13FN4O3/c12-8-5-15(11(18)19)2-1-9(8)16-10(3-13)7(6-17)4-14-16/h4,8-9,17H,1-2,5-6H2,(H,18,19)
InChIKeyGWQWFTSLFAZZDQ-UHFFFAOYSA-N
XLogP0.51
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 4-[5-cyano-4-(hydroxymethyl)pyrazol-1-yl]piperidine-1-carboxylate
CID 58114316
tert-butyl (3R,4S)-4-[5-cyano-4-[[6-fluoro-4-(methylcarbamoyl)cyclohexa-2,4-dien-1-yl]oxymethyl]pyrazol-1-yl]-3-fluoropiperidine-1-carboxylate
CID 67950431
1-[(3S)-4-(4-amino-5-methylpyrazol-1-yl)-3-fluoropiperidin-1-yl]ethanone
CID 146552640
4-(5-cyano-4-ethynylpyrazol-1-yl)piperidine-1-carboxylic acid
CID 87416642
4-[5-cyano-4-[[2-fluoro-4-(3-hydroxypyrrolidine-1-carbonyl)phenoxy]methyl]pyrazol-1-yl]piperidine-1-carboxylic acid
CID 123534391
3-fluoro-4-morpholin-4-ylpiperidine-1-carboxylic acid
CID 142784571
4-[5-cyano-4-[[2-fluoro-4-(3-methylimidazol-4-yl)phenoxy]methyl]pyrazol-1-yl]piperidine-1-carboxylic acid
CID 67478885
3-fluoropyrrolidine-1-carboxylic acid
CID 21071719
3-fluoro-4-methylpiperidine-1-carboxylic acid
CID 87324536
4-amino-3-fluoropiperidine-1-carboxylic acid
CID 66782220
3-fluoro-4-(methylamino)piperidine-1-carboxylic acid
CID 91177014
(3R,4S)-4-(4-bromoindol-1-yl)-3-fluoropiperidine-1-carboxylic acid
CID 170165701

Frequently Asked Questions

What is the IUPAC name of 4-[5-cyano-4-(hydroxymethyl)pyrazol-1-yl]-3-fluoropiperidine-1-carboxylic acid?
The IUPAC name of 4-[5-cyano-4-(hydroxymethyl)pyrazol-1-yl]-3-fluoropiperidine-1-carboxylic acid (CID 67609601) is 4-[5-cyano-4-(hydroxymethyl)pyrazol-1-yl]-3-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[5-cyano-4-(hydroxymethyl)pyrazol-1-yl]-3-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for 4-[5-cyano-4-(hydroxymethyl)pyrazol-1-yl]-3-fluoropiperidine-1-carboxylic acid is N#Cc1c(CO)cnn1C1CCN(C(=O)O)CC1F.
What is the InChIKey of 4-[5-cyano-4-(hydroxymethyl)pyrazol-1-yl]-3-fluoropiperidine-1-carboxylic acid?
The InChIKey is GWQWFTSLFAZZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O3/c12-8-5-15(11(18)19)2-1-9(8)16-10(3-13)7(6-17)4-14-16/h4,8-9,17H,1-2,5-6H2,(H,18,19).
What are the key properties of 4-[5-cyano-4-(hydroxymethyl)pyrazol-1-yl]-3-fluoropiperidine-1-carboxylic acid?
4-[5-cyano-4-(hydroxymethyl)pyrazol-1-yl]-3-fluoropiperidine-1-carboxylic acid has a molecular weight of 268.25 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-cyano-4-(hydroxymethyl)pyrazol-1-yl]-3-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 67609601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).