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

C8H9ClF3N3O — CID 19268098

IUPAC4-chloro-N-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCCNC(=O)c1nn(C)c(C(F)(F)F)c1Cl
InChIInChI=1S/C8H9ClF3N3O/c1-3-13-7(16)5-4(9)6(8(10,11)12)15(2)14-5/h3H2,1-2H3,(H,13,16)
InChIKeyPHXLOYXFCGEAHM-UHFFFAOYSA-N
MW255.63 g/mol
LogP1.84
Rot. Bonds2

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

4-chloro-N-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19268098) has the molecular formula C8H9ClF3N3O and a molecular weight of 255.63 g/mol. Its IUPAC name is 4-chloro-N-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19268098
Molecular FormulaC8H9ClF3N3O
Molecular Weight255.63 g/mol
Exact Mass255.04
IUPAC Name4-chloro-N-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCCNC(=O)c1nn(C)c(C(F)(F)F)c1Cl
InChIInChI=1S/C8H9ClF3N3O/c1-3-13-7(16)5-4(9)6(8(10,11)12)15(2)14-5/h3H2,1-2H3,(H,13,16)
InChIKeyPHXLOYXFCGEAHM-UHFFFAOYSA-N
XLogP1.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.63
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19268098) is 4-chloro-N-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is CCNC(=O)c1nn(C)c(C(F)(F)F)c1Cl.
What is the InChIKey of 4-chloro-N-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is PHXLOYXFCGEAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3O/c1-3-13-7(16)5-4(9)6(8(10,11)12)15(2)14-5/h3H2,1-2H3,(H,13,16).
What are the key properties of 4-chloro-N-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
4-chloro-N-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 255.63 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19268098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).