5-chloro-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C7H7ClF3N3O — CID 19080724

IUPAC5-chloro-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCn1nc(C(F)(F)F)c(C(N)=O)c1Cl
InChIInChI=1S/C7H7ClF3N3O/c1-2-14-5(8)3(6(12)15)4(13-14)7(9,10)11/h2H2,1H3,(H2,12,15)
InChIKeyRHWFNSGMHCXKOS-UHFFFAOYSA-N
MW241.60 g/mol
LogP1.67
Rot. Bonds2

About 5-chloro-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide

5-chloro-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 19080724) has the molecular formula C7H7ClF3N3O and a molecular weight of 241.60 g/mol. Its IUPAC name is 5-chloro-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID19080724
Molecular FormulaC7H7ClF3N3O
Molecular Weight241.60 g/mol
Exact Mass241.02
IUPAC Name5-chloro-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCn1nc(C(F)(F)F)c(C(N)=O)c1Cl
InChIInChI=1S/C7H7ClF3N3O/c1-2-14-5(8)3(6(12)15)4(13-14)7(9,10)11/h2H2,1H3,(H2,12,15)
InChIKeyRHWFNSGMHCXKOS-UHFFFAOYSA-N
XLogP1.67
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.60
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 19080724) is 5-chloro-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide is CCn1nc(C(F)(F)F)c(C(N)=O)c1Cl.
What is the InChIKey of 5-chloro-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is RHWFNSGMHCXKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3O/c1-2-14-5(8)3(6(12)15)4(13-14)7(9,10)11/h2H2,1H3,(H2,12,15).
What are the key properties of 5-chloro-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
5-chloro-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 241.60 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 19080724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).