ethyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate

C12H16F3N3O2 — CID 71807721

IUPACethyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate
SMILESCCOC(=O)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C12H16F3N3O2/c1-2-20-11(19)16-5-6-18-9(8-3-4-8)7-10(17-18)12(13,14)15/h7-8H,2-6H2,1H3,(H,16,19)
InChIKeyCZRTZNPNQACUFI-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.53
Rot. Bonds5

About ethyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate

ethyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate (PubChem CID 71807721) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is ethyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate
PubChem CID71807721
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Nameethyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate
SMILESCCOC(=O)NCCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C12H16F3N3O2/c1-2-20-11(19)16-5-6-18-9(8-3-4-8)7-10(17-18)12(13,14)15/h7-8H,2-6H2,1H3,(H,16,19)
InChIKeyCZRTZNPNQACUFI-UHFFFAOYSA-N
XLogP2.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate (CID 71807721) is ethyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate is CCOC(=O)NCCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of ethyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate?
The InChIKey is CZRTZNPNQACUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-2-20-11(19)16-5-6-18-9(8-3-4-8)7-10(17-18)12(13,14)15/h7-8H,2-6H2,1H3,(H,16,19).
What are the key properties of ethyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate?
ethyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate has a molecular weight of 291.27 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate is sourced from PubChem (CID 71807721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).