4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid

C10H14F2N4O2 — CID 175860299

IUPAC4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid
SMILESNc1cn(C2CCN(C(=O)O)CC2)nc1C(F)F
InChIInChI=1S/C10H14F2N4O2/c11-9(12)8-7(13)5-16(14-8)6-1-3-15(4-2-6)10(17)18/h5-6,9H,1-4,13H2,(H,17,18)
InChIKeyWVURFOYELIXRHC-UHFFFAOYSA-N
MW260.24 g/mol
LogP1.72
Rot. Bonds2

About 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid

4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid (PubChem CID 175860299) has the molecular formula C10H14F2N4O2 and a molecular weight of 260.24 g/mol. Its IUPAC name is 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid
PubChem CID175860299
Molecular FormulaC10H14F2N4O2
Molecular Weight260.24 g/mol
Exact Mass260.11
IUPAC Name4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid
SMILESNc1cn(C2CCN(C(=O)O)CC2)nc1C(F)F
InChIInChI=1S/C10H14F2N4O2/c11-9(12)8-7(13)5-16(14-8)6-1-3-15(4-2-6)10(17)18/h5-6,9H,1-4,13H2,(H,17,18)
InChIKeyWVURFOYELIXRHC-UHFFFAOYSA-N
XLogP1.72
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-amine
CID 69281646
tert-butyl N-(5-(difluoromethyl)-1-(piperidin-4-yl)-1H-pyrazol-4-yl)carbamate
CID 138005997
tert-butyl N-(1-(piperidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-4-yl)carbamate
CID 138047230
(2R)-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine-1,4-dicarboxylic acid
CID 68985257
(3S)-3-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazine-1-carboxylic acid
CID 68986306
(3R)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperazine-1-carboxylic acid
CID 68989033
5-Methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine
CID 69281538
3-Methyl-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-amine
CID 69281539
1-(3-Fluoro-1-methylpiperidin-4-yl)-3-methylpyrazol-4-amine
CID 69281655
1-(1-Ethyl-3-fluoropiperidin-4-yl)-3-methylpyrazol-4-amine
CID 69281656
1-[1-(2-Fluoroethyl)-4-piperidinyl]-3-methyl-1H-pyrazol-4-amine
CID 87765467
1-[1-(2-Fluoroethyl)piperidin-4-yl]-5-methylpyrazol-4-amine
CID 89610222

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid (CID 175860299) is 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid is Nc1cn(C2CCN(C(=O)O)CC2)nc1C(F)F.
What is the InChIKey of 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid?
The InChIKey is WVURFOYELIXRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O2/c11-9(12)8-7(13)5-16(14-8)6-1-3-15(4-2-6)10(17)18/h5-6,9H,1-4,13H2,(H,17,18).
What are the key properties of 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid?
4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid has a molecular weight of 260.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 175860299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).