2,2,2-trifluoroethyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate

C8H10F3N3O2 — CID 61067496

IUPAC2,2,2-trifluoroethyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate
SMILESCc1[nH]ncc1CNC(=O)OCC(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c1-5-6(3-13-14-5)2-12-7(15)16-4-8(9,10)11/h3H,2,4H2,1H3,(H,12,15)(H,13,14)
InChIKeyDURLXZJBKQQOCU-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.51
Rot. Bonds3

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

2,2,2-trifluoroethyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate (PubChem CID 61067496) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate
PubChem CID61067496
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name2,2,2-trifluoroethyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate
SMILESCc1[nH]ncc1CNC(=O)OCC(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c1-5-6(3-13-14-5)2-12-7(15)16-4-8(9,10)11/h3H,2,4H2,1H3,(H,12,15)(H,13,14)
InChIKeyDURLXZJBKQQOCU-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate (CID 61067496) is 2,2,2-trifluoroethyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate is Cc1[nH]ncc1CNC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate?
The InChIKey is DURLXZJBKQQOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-5-6(3-13-14-5)2-12-7(15)16-4-8(9,10)11/h3H,2,4H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2,2,2-trifluoroethyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate?
2,2,2-trifluoroethyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate has a molecular weight of 237.18 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate is sourced from PubChem (CID 61067496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).