prop-1-en-2-yl N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate

C9H10F3N3O2 — CID 66728821

IUPACprop-1-en-2-yl N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate
SMILESC=C(C)OC(=O)Nc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C9H10F3N3O2/c1-5(2)17-8(16)13-7-4-6(9(10,11)12)14-15(7)3/h4H,1H2,2-3H3,(H,13,16)
InChIKeyAAOUQAIUIYGGKR-UHFFFAOYSA-N
MW249.19 g/mol
LogP2.52
Rot. Bonds2

About prop-1-en-2-yl N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate

prop-1-en-2-yl N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate (PubChem CID 66728821) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is prop-1-en-2-yl N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate.

Molecular Properties

Compound Nameprop-1-en-2-yl N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate
PubChem CID66728821
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Nameprop-1-en-2-yl N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate
SMILESC=C(C)OC(=O)Nc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C9H10F3N3O2/c1-5(2)17-8(16)13-7-4-6(9(10,11)12)14-15(7)3/h4H,1H2,2-3H3,(H,13,16)
InChIKeyAAOUQAIUIYGGKR-UHFFFAOYSA-N
XLogP2.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 5-amino-3-methyl-1H-pyrazole-1-carboxylate
CID 56972293
2,2,2-trifluoroethyl N-(1,5-dimethyl-1H-pyrazol-3-yl)carbamate
CID 129912647
N-(1-butyl-3-methyl-1H-pyrazol-5-yl)-N'-(2,2,2-trifluoroethyl)urea
CID 118792560
N-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide
CID 59492320
methyl N-[2-methyl-5-(3,3,3-trifluoro-2-methylpropyl)pyrazol-3-yl]carbamate
CID 69972329
[5-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamic acid
CID 71150272
(4-fluoro-2,5-dimethyl-2H-pyrazol-3-yl)-carbamic acid tert-butyl ester
CID 86703156
[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]urea
CID 90809414
[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamic acid
CID 91480610
[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamic acid
CID 117697827
[3-(Difluoromethyl)-1-methylpyrazol-5-yl]carbamic acid
CID 117775416
1-Methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea
CID 118197384

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate?
The IUPAC name of prop-1-en-2-yl N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate (CID 66728821) is prop-1-en-2-yl N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate.
What is the SMILES notation for prop-1-en-2-yl N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate?
The canonical SMILES for prop-1-en-2-yl N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate is C=C(C)OC(=O)Nc1cc(C(F)(F)F)nn1C.
What is the InChIKey of prop-1-en-2-yl N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate?
The InChIKey is AAOUQAIUIYGGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-5(2)17-8(16)13-7-4-6(9(10,11)12)14-15(7)3/h4H,1H2,2-3H3,(H,13,16).
What are the key properties of prop-1-en-2-yl N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate?
prop-1-en-2-yl N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate has a molecular weight of 249.19 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamate is sourced from PubChem (CID 66728821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).