tert-butyl N-[(3S,5R)-3-(4-amino-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidin-3-yl]carbamate

C15H24F3N5O2 — CID 140667668

IUPACtert-butyl N-[(3S,5R)-3-(4-amino-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidin-3-yl]carbamate
SMILESCn1ncc(N)c1[C@@]1(NC(=O)OC(C)(C)C)CNC[C@H](C(F)(F)F)C1
InChIInChI=1S/C15H24F3N5O2/c1-13(2,3)25-12(24)22-14(11-10(19)7-21-23(11)4)5-9(6-20-8-14)15(16,17)18/h7,9,20H,5-6,8,19H2,1-4H3,(H,22,24)/t9-,14+/m1/s1
InChIKeyCHCOOZIZZQJZHP-OTYXRUKQSA-N
MW363.38 g/mol
LogP1.89
Rot. Bonds2

About tert-butyl N-[(3S,5R)-3-(4-amino-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidin-3-yl]carbamate

tert-butyl N-[(3S,5R)-3-(4-amino-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidin-3-yl]carbamate (PubChem CID 140667668) has the molecular formula C15H24F3N5O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is tert-butyl N-[(3S,5R)-3-(4-amino-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,5R)-3-(4-amino-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidin-3-yl]carbamate
PubChem CID140667668
Molecular FormulaC15H24F3N5O2
Molecular Weight363.38 g/mol
Exact Mass363.19
IUPAC Nametert-butyl N-[(3S,5R)-3-(4-amino-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidin-3-yl]carbamate
SMILESCn1ncc(N)c1[C@@]1(NC(=O)OC(C)(C)C)CNC[C@H](C(F)(F)F)C1
InChIInChI=1S/C15H24F3N5O2/c1-13(2,3)25-12(24)22-14(11-10(19)7-21-23(11)4)5-9(6-20-8-14)15(16,17)18/h7,9,20H,5-6,8,19H2,1-4H3,(H,22,24)/t9-,14+/m1/s1
InChIKeyCHCOOZIZZQJZHP-OTYXRUKQSA-N
XLogP1.89
TPSA94.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,5R)-3-(4-amino-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,5R)-3-(4-amino-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidin-3-yl]carbamate (CID 140667668) is tert-butyl N-[(3S,5R)-3-(4-amino-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,5R)-3-(4-amino-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,5R)-3-(4-amino-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidin-3-yl]carbamate is Cn1ncc(N)c1[C@@]1(NC(=O)OC(C)(C)C)CNC[C@H](C(F)(F)F)C1.
What is the InChIKey of tert-butyl N-[(3S,5R)-3-(4-amino-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidin-3-yl]carbamate?
The InChIKey is CHCOOZIZZQJZHP-OTYXRUKQSA-N. The full InChI is InChI=1S/C15H24F3N5O2/c1-13(2,3)25-12(24)22-14(11-10(19)7-21-23(11)4)5-9(6-20-8-14)15(16,17)18/h7,9,20H,5-6,8,19H2,1-4H3,(H,22,24)/t9-,14+/m1/s1.
What are the key properties of tert-butyl N-[(3S,5R)-3-(4-amino-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidin-3-yl]carbamate?
tert-butyl N-[(3S,5R)-3-(4-amino-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidin-3-yl]carbamate has a molecular weight of 363.38 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,5R)-3-(4-amino-1-methylpyrazol-5-yl)-5-(trifluoromethyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 140667668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).