4,5-dichloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C13H10Cl2F3N3O — CID 1047269

IUPAC4,5-dichloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1Cl
InChIInChI=1S/C13H10Cl2F3N3O/c1-2-21-11(15)9(14)10(20-21)12(22)19-8-5-3-4-7(6-8)13(16,17)18/h3-6H,2H2,1H3,(H,19,22)
InChIKeyUGNLLLNFIMCMSS-UHFFFAOYSA-N
MW352.14 g/mol
LogP4.48
Rot. Bonds3

About 4,5-dichloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

4,5-dichloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 1047269) has the molecular formula C13H10Cl2F3N3O and a molecular weight of 352.14 g/mol. Its IUPAC name is 4,5-dichloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID1047269
Molecular FormulaC13H10Cl2F3N3O
Molecular Weight352.14 g/mol
Exact Mass351.02
IUPAC Name4,5-dichloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1Cl
InChIInChI=1S/C13H10Cl2F3N3O/c1-2-21-11(15)9(14)10(20-21)12(22)19-8-5-3-4-7(6-8)13(16,17)18/h3-6H,2H2,1H3,(H,19,22)
InChIKeyUGNLLLNFIMCMSS-UHFFFAOYSA-N
XLogP4.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 4,5-dichloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 1047269) is 4,5-dichloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dichloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dichloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is CCn1nc(C(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is UGNLLLNFIMCMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N3O/c1-2-21-11(15)9(14)10(20-21)12(22)19-8-5-3-4-7(6-8)13(16,17)18/h3-6H,2H2,1H3,(H,19,22).
What are the key properties of 4,5-dichloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
4,5-dichloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 352.14 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-ethyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 1047269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).