[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate

C14H22F2N4O2 — CID 171572343

IUPAC[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(n2cc(N)c(C(F)F)n2)CC1
InChIInChI=1S/C14H22F2N4O2/c1-14(2,3)13(21)22-19-6-4-9(5-7-19)20-8-10(17)11(18-20)12(15)16/h8-9,12H,4-7,17H2,1-3H3
InChIKeyDIKKXDNTSUFKPV-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.54
Rot. Bonds3

About [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate

[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 171572343) has the molecular formula C14H22F2N4O2 and a molecular weight of 316.35 g/mol. Its IUPAC name is [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID171572343
Molecular FormulaC14H22F2N4O2
Molecular Weight316.35 g/mol
Exact Mass316.17
IUPAC Name[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCC(n2cc(N)c(C(F)F)n2)CC1
InChIInChI=1S/C14H22F2N4O2/c1-14(2,3)13(21)22-19-6-4-9(5-7-19)20-8-10(17)11(18-20)12(15)16/h8-9,12H,4-7,17H2,1-3H3
InChIKeyDIKKXDNTSUFKPV-UHFFFAOYSA-N
XLogP2.54
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[2-[[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]methoxy]ethyl]piperidine-1-carboxylate
CID 167439853
3-(difluoromethyl)-1-[4-(methylaminomethyl)cyclohexyl]pyrazol-4-amine
CID 162349101
methyl 2-[4-amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
CID 175181332
[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174732113
(4-formylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174553162
[4-(6-aminopyrazin-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174721981
[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 175267602
[(3R)-3-fluoropyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174512176
(4-carbonochloridoylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174442879
tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate
CID 155194633
[3-(4-aminophenyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174680963
4-[4-[3-(difluoromethyl)-4-nitropyrazol-1-yl]piperidin-1-yl]benzoic acid
CID 146598731

Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate (CID 171572343) is [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCC(n2cc(N)c(C(F)F)n2)CC1.
What is the InChIKey of [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is DIKKXDNTSUFKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4O2/c1-14(2,3)13(21)22-19-6-4-9(5-7-19)20-8-10(17)11(18-20)12(15)16/h8-9,12H,4-7,17H2,1-3H3.
What are the key properties of [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
[4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 316.35 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-amino-3-(difluoromethyl)pyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 171572343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).