1-ethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide

C9H7F8N3O — CID 175740499

IUPAC1-ethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1C(N)=O
InChIInChI=1S/C9H7F8N3O/c1-2-20-4(6(18)21)3(8(12,13)14)5(19-20)7(10,11)9(15,16)17/h2H2,1H3,(H2,18,21)
InChIKeyYLJLVFZURJXWRQ-UHFFFAOYSA-N
MW325.16 g/mol
LogP2.67
Rot. Bonds3

About 1-ethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide

1-ethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 175740499) has the molecular formula C9H7F8N3O and a molecular weight of 325.16 g/mol. Its IUPAC name is 1-ethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID175740499
Molecular FormulaC9H7F8N3O
Molecular Weight325.16 g/mol
Exact Mass325.05
IUPAC Name1-ethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1C(N)=O
InChIInChI=1S/C9H7F8N3O/c1-2-20-4(6(18)21)3(8(12,13)14)5(19-20)7(10,11)9(15,16)17/h2H2,1H3,(H2,18,21)
InChIKeyYLJLVFZURJXWRQ-UHFFFAOYSA-N
XLogP2.67
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

[1-ethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl] formate
CID 90867102
1-[(3,3-difluoro-1-methylcyclobutyl)methyl]-3-(2-fluoropropan-2-yl)-4-(trifluoromethyl)pyrazole-5-carboxamide
CID 171800833
1-ethyl-4-(1,1,2,2,2-pentafluoroethyl)-5-propan-2-yltriazole
CID 87806000
1-ethyl-4-methyl-5-(1,1,2,2,2-pentafluoroethyl)triazole
CID 87804077
5-[chloro(difluoro)methyl]-N-(diaminomethylidene)-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
CID 166399540
4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide
CID 4770975
4-[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-1-ethylpyrazole-5-carboxamide
CID 4769878
4-(1,1,2,2,2-pentafluoroethyl)-1-propyl-5-(trifluoromethyl)triazole
CID 87804250
1-ethyl-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
CID 87664808
1-ethyl-4-[(4-fluorobenzoyl)amino]-3-methylpyrazole-5-carboxamide
CID 75537911
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl chloride
CID 19620719
1-ethyltetrazole-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 67838435

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide (CID 175740499) is 1-ethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide is CCn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1C(N)=O.
What is the InChIKey of 1-ethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is YLJLVFZURJXWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F8N3O/c1-2-20-4(6(18)21)3(8(12,13)14)5(19-20)7(10,11)9(15,16)17/h2H2,1H3,(H2,18,21).
What are the key properties of 1-ethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide?
1-ethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 325.16 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 175740499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).