methyl N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]carbamate

C8H10F3N3O2 — CID 100989961

IUPACmethyl N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]carbamate
SMILESCOC(=O)NCCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c1-16-7(15)12-3-2-5-4-13-14-6(5)8(9,10)11/h4H,2-3H2,1H3,(H,12,15)(H,13,14)
InChIKeyWEJAUNPMJDBNMQ-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.33
Rot. Bonds3

About methyl N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]carbamate

methyl N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]carbamate (PubChem CID 100989961) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is methyl N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]carbamate
PubChem CID100989961
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Namemethyl N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]carbamate
SMILESCOC(=O)NCCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c1-16-7(15)12-3-2-5-4-13-14-6(5)8(9,10)11/h4H,2-3H2,1H3,(H,12,15)(H,13,14)
InChIKeyWEJAUNPMJDBNMQ-UHFFFAOYSA-N
XLogP1.33
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]carbamate?
The IUPAC name of methyl N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]carbamate (CID 100989961) is methyl N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]carbamate is COC(=O)NCCc1cn[nH]c1C(F)(F)F.
What is the InChIKey of methyl N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]carbamate?
The InChIKey is WEJAUNPMJDBNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-16-7(15)12-3-2-5-4-13-14-6(5)8(9,10)11/h4H,2-3H2,1H3,(H,12,15)(H,13,14).
What are the key properties of methyl N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]carbamate?
methyl N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]carbamate has a molecular weight of 237.18 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethyl]carbamate is sourced from PubChem (CID 100989961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).