1-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-5-amine

C7H10F3N3 — CID 118153032

IUPAC1-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCCn1nc(C(F)(F)F)c(C)c1N
InChIInChI=1S/C7H10F3N3/c1-3-13-6(11)4(2)5(12-13)7(8,9)10/h3,11H2,1-2H3
InChIKeyBPMSNFYMSBSBAA-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.81
Rot. Bonds1

About 1-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-5-amine

1-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 118153032) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 1-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID118153032
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name1-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCCn1nc(C(F)(F)F)c(C)c1N
InChIInChI=1S/C7H10F3N3/c1-3-13-6(11)4(2)5(12-13)7(8,9)10/h3,11H2,1-2H3
InChIKeyBPMSNFYMSBSBAA-UHFFFAOYSA-N
XLogP1.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-5-amine (CID 118153032) is 1-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-5-amine is CCn1nc(C(F)(F)F)c(C)c1N.
What is the InChIKey of 1-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is BPMSNFYMSBSBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-3-13-6(11)4(2)5(12-13)7(8,9)10/h3,11H2,1-2H3.
What are the key properties of 1-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-5-amine?
1-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 193.17 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 118153032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).