tert-butyl N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]carbamate

C10H14F3N3O2 — CID 59637276

IUPACtert-butyl N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C10H14F3N3O2/c1-9(2,3)18-8(17)14-5-6-4-7(16-15-6)10(11,12)13/h4H,5H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyWORPWOGJWQFGHU-UHFFFAOYSA-N
MW265.23 g/mol
LogP2.45
Rot. Bonds2

About tert-butyl N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]carbamate

tert-butyl N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]carbamate (PubChem CID 59637276) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is tert-butyl N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]carbamate
PubChem CID59637276
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Nametert-butyl N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C10H14F3N3O2/c1-9(2,3)18-8(17)14-5-6-4-7(16-15-6)10(11,12)13/h4H,5H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyWORPWOGJWQFGHU-UHFFFAOYSA-N
XLogP2.45
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-chloroacetamide
CID 166430893
tert-butyl N-[[2-amino-6-(trifluoromethyl)-4-pyridinyl]methyl]carbamate
CID 122536420
tert-butyl N-[2-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 52778261
tert-butyl N-[2-[2-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]carbamate
CID 546504
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(trifluoromethyl)benzoic acid
CID 134417050
tert-butyl N-[[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]phenyl]methyl]carbamate
CID 71940520
tert-butyl N-[[6-methyl-2-(2,2,2-trifluoroethoxy)pyrimidin-4-yl]methyl]carbamate
CID 171787096
tert-butyl N-[[2-cyclopropyl-3-fluoro-6-(trifluoromethyl)-4-pyridinyl]methyl]carbamate;ethane
CID 145136282
tert-butyl N-[[3-[5-(dihydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate
CID 138722296
1-ethyl-N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]pyrazol-4-amine
CID 19626471
tert-butyl N-[2-[(5-methyl-1H-pyrazol-3-yl)carbamothioylamino]ethyl]carbamate
CID 84554176
tert-butyl N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamate
CID 155895576

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]carbamate (CID 59637276) is tert-butyl N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of tert-butyl N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]carbamate?
The InChIKey is WORPWOGJWQFGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-9(2,3)18-8(17)14-5-6-4-7(16-15-6)10(11,12)13/h4H,5H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of tert-butyl N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]carbamate?
tert-butyl N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]carbamate has a molecular weight of 265.23 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]carbamate is sourced from PubChem (CID 59637276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).