methyl N-[6-pyrazol-1-yl-2-(trifluoromethoxy)-3-pyridinyl]carbamate

C11H9F3N4O3 — CID 135031327

IUPACmethyl N-[6-pyrazol-1-yl-2-(trifluoromethoxy)-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(-n2cccn2)nc1OC(F)(F)F
InChIInChI=1S/C11H9F3N4O3/c1-20-10(19)16-7-3-4-8(18-6-2-5-15-18)17-9(7)21-11(12,13)14/h2-6H,1H3,(H,16,19)
InChIKeyFKXSWJOOSBDVNI-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.34
Rot. Bonds3

About methyl N-[6-pyrazol-1-yl-2-(trifluoromethoxy)-3-pyridinyl]carbamate

methyl N-[6-pyrazol-1-yl-2-(trifluoromethoxy)-3-pyridinyl]carbamate (PubChem CID 135031327) has the molecular formula C11H9F3N4O3 and a molecular weight of 302.21 g/mol. Its IUPAC name is methyl N-[6-pyrazol-1-yl-2-(trifluoromethoxy)-3-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-pyrazol-1-yl-2-(trifluoromethoxy)-3-pyridinyl]carbamate
PubChem CID135031327
Molecular FormulaC11H9F3N4O3
Molecular Weight302.21 g/mol
Exact Mass302.06
IUPAC Namemethyl N-[6-pyrazol-1-yl-2-(trifluoromethoxy)-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(-n2cccn2)nc1OC(F)(F)F
InChIInChI=1S/C11H9F3N4O3/c1-20-10(19)16-7-3-4-8(18-6-2-5-15-18)17-9(7)21-11(12,13)14/h2-6H,1H3,(H,16,19)
InChIKeyFKXSWJOOSBDVNI-UHFFFAOYSA-N
XLogP2.34
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[6-pyrazol-1-yl-2-(trifluoromethoxy)-3-pyridinyl]carbamate?
The IUPAC name of methyl N-[6-pyrazol-1-yl-2-(trifluoromethoxy)-3-pyridinyl]carbamate (CID 135031327) is methyl N-[6-pyrazol-1-yl-2-(trifluoromethoxy)-3-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[6-pyrazol-1-yl-2-(trifluoromethoxy)-3-pyridinyl]carbamate?
The canonical SMILES for methyl N-[6-pyrazol-1-yl-2-(trifluoromethoxy)-3-pyridinyl]carbamate is COC(=O)Nc1ccc(-n2cccn2)nc1OC(F)(F)F.
What is the InChIKey of methyl N-[6-pyrazol-1-yl-2-(trifluoromethoxy)-3-pyridinyl]carbamate?
The InChIKey is FKXSWJOOSBDVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O3/c1-20-10(19)16-7-3-4-8(18-6-2-5-15-18)17-9(7)21-11(12,13)14/h2-6H,1H3,(H,16,19).
What are the key properties of methyl N-[6-pyrazol-1-yl-2-(trifluoromethoxy)-3-pyridinyl]carbamate?
methyl N-[6-pyrazol-1-yl-2-(trifluoromethoxy)-3-pyridinyl]carbamate has a molecular weight of 302.21 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-pyrazol-1-yl-2-(trifluoromethoxy)-3-pyridinyl]carbamate is sourced from PubChem (CID 135031327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).