5-tert-butyl-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-amine

C14H24F2N4 — CID 157042267

IUPAC5-tert-butyl-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-amine
SMILESCC(C)(C)c1cc(N)nn1C1CCN(CC(F)F)CC1
InChIInChI=1S/C14H24F2N4/c1-14(2,3)11-8-13(17)18-20(11)10-4-6-19(7-5-10)9-12(15)16/h8,10,12H,4-7,9H2,1-3H3,(H2,17,18)
InChIKeyLDDVWKHXEXCHLH-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.66
Rot. Bonds3

About 5-tert-butyl-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-amine

5-tert-butyl-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-amine (PubChem CID 157042267) has the molecular formula C14H24F2N4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-tert-butyl-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-amine.

Molecular Properties

Compound Name5-tert-butyl-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-amine
PubChem CID157042267
Molecular FormulaC14H24F2N4
Molecular Weight286.37 g/mol
Exact Mass286.20
IUPAC Name5-tert-butyl-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-amine
SMILESCC(C)(C)c1cc(N)nn1C1CCN(CC(F)F)CC1
InChIInChI=1S/C14H24F2N4/c1-14(2,3)11-8-13(17)18-20(11)10-4-6-19(7-5-10)9-12(15)16/h8,10,12H,4-7,9H2,1-3H3,(H2,17,18)
InChIKeyLDDVWKHXEXCHLH-UHFFFAOYSA-N
XLogP2.66
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-Butyl-1-methyl-1H-pyrazol-5-amine
CID 2735287
1,3-bis(propan-2-yl)-1H-pyrazol-5-amine
CID 12763781
5-cyclopropyl-1-ethyl-1H-pyrazol-3-amine
CID 25248196
3-tert-Butyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine
CID 45926014
3-(1,1-Dimethylethyl)-1-ethyl-1H-pyrazol-5-amine
CID 61265722
1-methyl-3-(1-(trifluoromethyl)cyclopropyl)-1H-pyrazol-5-amine
CID 154575254
1-methyl-3-(piperidin-4-yl)-1H-pyrazol-5-amine
CID 83409076
5-(tert-Butyl)-1-methyl-1H-pyrazol-3-amine
CID 83694545
2-Methyl-5-(3,3,3-trifluoro-2-methylpropyl)pyrazol-3-amine
CID 17852303
5-Propyl-2-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 57182162
3-Tert-butyl-1-(4,4,4-trifluorobutyl)-1h-pyrazol-5-amine
CID 66643224
5-Tert-butyl-2-(3,3,3-trifluoropropyl)pyrazol-3-amine
CID 66643366

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-amine?
The IUPAC name of 5-tert-butyl-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-amine (CID 157042267) is 5-tert-butyl-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-amine.
What is the SMILES notation for 5-tert-butyl-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-amine?
The canonical SMILES for 5-tert-butyl-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-amine is CC(C)(C)c1cc(N)nn1C1CCN(CC(F)F)CC1.
What is the InChIKey of 5-tert-butyl-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-amine?
The InChIKey is LDDVWKHXEXCHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N4/c1-14(2,3)11-8-13(17)18-20(11)10-4-6-19(7-5-10)9-12(15)16/h8,10,12H,4-7,9H2,1-3H3,(H2,17,18).
What are the key properties of 5-tert-butyl-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-amine?
5-tert-butyl-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-amine has a molecular weight of 286.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-amine is sourced from PubChem (CID 157042267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).