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

C7H7ClF3N3O — CID 67696226

IUPAC3-chloro-N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCCNC(=O)c1c(Cl)n[nH]c1C(F)(F)F
InChIInChI=1S/C7H7ClF3N3O/c1-2-12-6(15)3-4(7(9,10)11)13-14-5(3)8/h2H2,1H3,(H,12,15)(H,13,14)
InChIKeyXNEVZMDCYSMVJO-UHFFFAOYSA-N
MW241.60 g/mol
LogP1.83
Rot. Bonds2

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

3-chloro-N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (PubChem CID 67696226) has the molecular formula C7H7ClF3N3O and a molecular weight of 241.60 g/mol. Its IUPAC name is 3-chloro-N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
PubChem CID67696226
Molecular FormulaC7H7ClF3N3O
Molecular Weight241.60 g/mol
Exact Mass241.02
IUPAC Name3-chloro-N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCCNC(=O)c1c(Cl)n[nH]c1C(F)(F)F
InChIInChI=1S/C7H7ClF3N3O/c1-2-12-6(15)3-4(7(9,10)11)13-14-5(3)8/h2H2,1H3,(H,12,15)(H,13,14)
InChIKeyXNEVZMDCYSMVJO-UHFFFAOYSA-N
XLogP1.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.60
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 4329181
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CID 47137888
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CID 19080724
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CID 90102521
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CID 131986822
CID 131986822
CID 151547829
CID 151547829
CID 4329179
CID 4329179
CID 148627631
CID 148627631
CID 166298033
CID 166298033
CID 178361091
CID 178361091
CID 178362044
CID 178362044
CID 178363140
CID 178363140

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-chloro-N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CID 67696226) is 3-chloro-N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-chloro-N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-chloro-N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is CCNC(=O)c1c(Cl)n[nH]c1C(F)(F)F.
What is the InChIKey of 3-chloro-N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is XNEVZMDCYSMVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF3N3O/c1-2-12-6(15)3-4(7(9,10)11)13-14-5(3)8/h2H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 3-chloro-N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
3-chloro-N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 241.60 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 67696226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).