4-(3-tert-butylpyrazol-1-yl)-1-(2,2-difluorocyclopropanecarbonyl)piperidine-4-carboxylic acid

C17H23F2N3O3 — CID 56884134

IUPAC4-(3-tert-butylpyrazol-1-yl)-1-(2,2-difluorocyclopropanecarbonyl)piperidine-4-carboxylic acid
SMILESCC(C)(C)c1ccn(C2(C(=O)O)CCN(C(=O)C3CC3(F)F)CC2)n1
InChIInChI=1S/C17H23F2N3O3/c1-15(2,3)12-4-7-22(20-12)16(14(24)25)5-8-21(9-6-16)13(23)11-10-17(11,18)19/h4,7,11H,5-6,8-10H2,1-3H3,(H,24,25)
InChIKeyFIVCGYXMCFKKJR-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.24
Rot. Bonds3

About 4-(3-tert-butylpyrazol-1-yl)-1-(2,2-difluorocyclopropanecarbonyl)piperidine-4-carboxylic acid

4-(3-tert-butylpyrazol-1-yl)-1-(2,2-difluorocyclopropanecarbonyl)piperidine-4-carboxylic acid (PubChem CID 56884134) has the molecular formula C17H23F2N3O3 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-(3-tert-butylpyrazol-1-yl)-1-(2,2-difluorocyclopropanecarbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-tert-butylpyrazol-1-yl)-1-(2,2-difluorocyclopropanecarbonyl)piperidine-4-carboxylic acid
PubChem CID56884134
Molecular FormulaC17H23F2N3O3
Molecular Weight355.39 g/mol
Exact Mass355.17
IUPAC Name4-(3-tert-butylpyrazol-1-yl)-1-(2,2-difluorocyclopropanecarbonyl)piperidine-4-carboxylic acid
SMILESCC(C)(C)c1ccn(C2(C(=O)O)CCN(C(=O)C3CC3(F)F)CC2)n1
InChIInChI=1S/C17H23F2N3O3/c1-15(2,3)12-4-7-22(20-12)16(14(24)25)5-8-21(9-6-16)13(23)11-10-17(11,18)19/h4,7,11H,5-6,8-10H2,1-3H3,(H,24,25)
InChIKeyFIVCGYXMCFKKJR-UHFFFAOYSA-N
XLogP2.24
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-tert-butylpyrazol-1-yl)-1-(spiro[2.3]hexane-2-carbonyl)piperidine-4-carboxylic acid
CID 56906206
4-(3-tert-butylpyrazol-1-yl)-1-(cyclohex-3-ene-1-carbonyl)piperidine-4-carboxylic acid
CID 56912077
4-(3-tert-butylpyrazol-1-yl)-1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidine-4-carboxylic acid
CID 95882475
4-(3-tert-butylpyrazol-1-yl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 56887803
4-(3-tert-butylpyrazol-1-yl)-1-[(4-cyano-5-methyl-1H-pyrrol-2-yl)methyl]piperidine-4-carboxylic acid
CID 70735142
1-(morpholine-4-carbonyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56891386
4-[3-(furan-2-yl)pyrazol-1-yl]-1-[(3R)-oxolane-3-carbonyl]piperidine-4-carboxylic acid
CID 95874973
3-tert-butylpyrazole-1-carboxylic acid
CID 591700
(2,2-difluorocyclopropyl)-(4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decan-8-yl)methanone
CID 137386971
4-(3-propan-2-ylpyrazol-1-yl)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 56883218
[(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone
CID 147863064
4-[3-(furan-2-yl)pyrazol-1-yl]-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid
CID 56897994

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylpyrazol-1-yl)-1-(2,2-difluorocyclopropanecarbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(3-tert-butylpyrazol-1-yl)-1-(2,2-difluorocyclopropanecarbonyl)piperidine-4-carboxylic acid (CID 56884134) is 4-(3-tert-butylpyrazol-1-yl)-1-(2,2-difluorocyclopropanecarbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(3-tert-butylpyrazol-1-yl)-1-(2,2-difluorocyclopropanecarbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(3-tert-butylpyrazol-1-yl)-1-(2,2-difluorocyclopropanecarbonyl)piperidine-4-carboxylic acid is CC(C)(C)c1ccn(C2(C(=O)O)CCN(C(=O)C3CC3(F)F)CC2)n1.
What is the InChIKey of 4-(3-tert-butylpyrazol-1-yl)-1-(2,2-difluorocyclopropanecarbonyl)piperidine-4-carboxylic acid?
The InChIKey is FIVCGYXMCFKKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O3/c1-15(2,3)12-4-7-22(20-12)16(14(24)25)5-8-21(9-6-16)13(23)11-10-17(11,18)19/h4,7,11H,5-6,8-10H2,1-3H3,(H,24,25).
What are the key properties of 4-(3-tert-butylpyrazol-1-yl)-1-(2,2-difluorocyclopropanecarbonyl)piperidine-4-carboxylic acid?
4-(3-tert-butylpyrazol-1-yl)-1-(2,2-difluorocyclopropanecarbonyl)piperidine-4-carboxylic acid has a molecular weight of 355.39 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylpyrazol-1-yl)-1-(2,2-difluorocyclopropanecarbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56884134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).