tert-butyl N-[2-(1-methylpyrazol-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate

C17H21F3N4O2 — CID 86716241

IUPACtert-butyl N-[2-(1-methylpyrazol-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate
SMILESCn1cc(C(CNC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C17H21F3N4O2/c1-16(2,3)26-15(25)22-9-13(12-8-23-24(4)10-12)11-5-6-14(21-7-11)17(18,19)20/h5-8,10,13H,9H2,1-4H3,(H,22,25)
InChIKeyUJEJRGACRCXUKV-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.49
Rot. Bonds4

About tert-butyl N-[2-(1-methylpyrazol-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate

tert-butyl N-[2-(1-methylpyrazol-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate (PubChem CID 86716241) has the molecular formula C17H21F3N4O2 and a molecular weight of 370.38 g/mol. Its IUPAC name is tert-butyl N-[2-(1-methylpyrazol-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-methylpyrazol-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate
PubChem CID86716241
Molecular FormulaC17H21F3N4O2
Molecular Weight370.38 g/mol
Exact Mass370.16
IUPAC Nametert-butyl N-[2-(1-methylpyrazol-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate
SMILESCn1cc(C(CNC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C17H21F3N4O2/c1-16(2,3)26-15(25)22-9-13(12-8-23-24(4)10-12)11-5-6-14(21-7-11)17(18,19)20/h5-8,10,13H,9H2,1-4H3,(H,22,25)
InChIKeyUJEJRGACRCXUKV-UHFFFAOYSA-N
XLogP3.49
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-(1-methylpyrazol-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2R)-2-(1-methylpyrazol-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate
CID 129409449
tert-butyl N-[2,3-dihydroxy-3-[2-(trifluoromethyl)pyrimidin-5-yl]propyl]carbamate
CID 170832479
tert-butyl N-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]carbamate
CID 169467876
tert-butyl N-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]carbamate
CID 137356809
tert-butyl N-[(2R)-2-phenyl-2-pyridazin-4-ylethyl]carbamate
CID 129409429
tert-butyl N-[2-methyl-1-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-yl]carbamate
CID 103788232
tert-butyl N-[2,3-dihydroxy-3-(1-propylpyrazol-4-yl)propyl]carbamate
CID 170831773
tert-butyl N-[3-methyl-2-[[(1-methylpyrazol-4-yl)methylamino]methyl]butyl]carbamate
CID 107442025
tert-butyl N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]carbamate
CID 71967740
tert-butyl N-[[1-[[2-acetyl-6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]methyl]carbamate
CID 146203555
(2R)-2-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid;(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid;hydrochloride
CID 159283356
tert-butyl N-[2-(5-amino-1-methylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 86597875

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-methylpyrazol-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-methylpyrazol-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate (CID 86716241) is tert-butyl N-[2-(1-methylpyrazol-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-methylpyrazol-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-methylpyrazol-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate is Cn1cc(C(CNC(=O)OC(C)(C)C)c2ccc(C(F)(F)F)nc2)cn1.
What is the InChIKey of tert-butyl N-[2-(1-methylpyrazol-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate?
The InChIKey is UJEJRGACRCXUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O2/c1-16(2,3)26-15(25)22-9-13(12-8-23-24(4)10-12)11-5-6-14(21-7-11)17(18,19)20/h5-8,10,13H,9H2,1-4H3,(H,22,25).
What are the key properties of tert-butyl N-[2-(1-methylpyrazol-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate?
tert-butyl N-[2-(1-methylpyrazol-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate has a molecular weight of 370.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-methylpyrazol-4-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]carbamate is sourced from PubChem (CID 86716241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).