tert-butyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate

C14H21F3N4O2 — CID 135342070

IUPACtert-butyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(N)c(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H21F3N4O2/c1-13(2,3)23-12(22)20-6-4-9(5-7-20)21-8-10(18)11(19-21)14(15,16)17/h8-9H,4-7,18H2,1-3H3
InChIKeyRYWRRBXFFJLZRG-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.06
Rot. Bonds1

About tert-butyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate (PubChem CID 135342070) has the molecular formula C14H21F3N4O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is tert-butyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
PubChem CID135342070
Molecular FormulaC14H21F3N4O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC Nametert-butyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(N)c(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H21F3N4O2/c1-13(2,3)23-12(22)20-6-4-9(5-7-20)21-8-10(18)11(19-21)14(15,16)17/h8-9H,4-7,18H2,1-3H3
InChIKeyRYWRRBXFFJLZRG-UHFFFAOYSA-N
XLogP3.06
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-Butyl 4-amino-3-methyl-1H-pyrazole-1-carboxylate
CID 60027404
tert-butyl 4-(4-amino-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 27281520
tert-butyl 4-(3-methyl-4-nitro-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 118961721
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
tert-butyl (2R,3R)-3-[(1,3-dimethylpyrazol-4-yl)carbamoyl]-2-methylpiperidine-1-carboxylate
CID 126813145
tert-Butyl (3S)-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}piperazine-1-carboxylate
CID 57744184
Tert-butyl 3-fluoro-4-(3-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate
CID 67970326
tert-Butyl 4-(4-bromo-3-(trifluoromethyl)-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 68317862
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate (CID 135342070) is tert-butyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2cc(N)c(C(F)(F)F)n2)CC1.
What is the InChIKey of tert-butyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate?
The InChIKey is RYWRRBXFFJLZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O2/c1-13(2,3)23-12(22)20-6-4-9(5-7-20)21-8-10(18)11(19-21)14(15,16)17/h8-9H,4-7,18H2,1-3H3.
What are the key properties of tert-butyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate has a molecular weight of 334.34 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 135342070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).