3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-ethyl-5-methylpyrazole-1-carboxamide

C14H12Cl2F3N3O2 — CID 11961271

IUPAC3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-ethyl-5-methylpyrazole-1-carboxamide
SMILESCCNC(=O)n1nc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1C
InChIInChI=1S/C14H12Cl2F3N3O2/c1-3-20-13(23)22-7(2)4-11(21-22)24-12-9(15)5-8(6-10(12)16)14(17,18)19/h4-6H,3H2,1-2H3,(H,20,23)
InChIKeyYDOYLCQTVNZMRY-UHFFFAOYSA-N
MW382.17 g/mol
LogP4.89
Rot. Bonds3

About 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-ethyl-5-methylpyrazole-1-carboxamide

3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-ethyl-5-methylpyrazole-1-carboxamide (PubChem CID 11961271) has the molecular formula C14H12Cl2F3N3O2 and a molecular weight of 382.17 g/mol. Its IUPAC name is 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-ethyl-5-methylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-ethyl-5-methylpyrazole-1-carboxamide
PubChem CID11961271
Molecular FormulaC14H12Cl2F3N3O2
Molecular Weight382.17 g/mol
Exact Mass381.03
IUPAC Name3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-ethyl-5-methylpyrazole-1-carboxamide
SMILESCCNC(=O)n1nc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1C
InChIInChI=1S/C14H12Cl2F3N3O2/c1-3-20-13(23)22-7(2)4-11(21-22)24-12-9(15)5-8(6-10(12)16)14(17,18)19/h4-6H,3H2,1-2H3,(H,20,23)
InChIKeyYDOYLCQTVNZMRY-UHFFFAOYSA-N
XLogP4.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.17
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-ethyl-5-methylpyrazole-1-carboxamide?
The IUPAC name of 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-ethyl-5-methylpyrazole-1-carboxamide (CID 11961271) is 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-ethyl-5-methylpyrazole-1-carboxamide.
What is the SMILES notation for 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-ethyl-5-methylpyrazole-1-carboxamide?
The canonical SMILES for 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-ethyl-5-methylpyrazole-1-carboxamide is CCNC(=O)n1nc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1C.
What is the InChIKey of 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-ethyl-5-methylpyrazole-1-carboxamide?
The InChIKey is YDOYLCQTVNZMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2F3N3O2/c1-3-20-13(23)22-7(2)4-11(21-22)24-12-9(15)5-8(6-10(12)16)14(17,18)19/h4-6H,3H2,1-2H3,(H,20,23).
What are the key properties of 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-ethyl-5-methylpyrazole-1-carboxamide?
3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-ethyl-5-methylpyrazole-1-carboxamide has a molecular weight of 382.17 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-N-ethyl-5-methylpyrazole-1-carboxamide is sourced from PubChem (CID 11961271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).