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

C6H8F3N3 — CID 19623304

IUPAC1-ethyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCCn1nc(C(F)(F)F)cc1N
InChIInChI=1S/C6H8F3N3/c1-2-12-5(10)3-4(11-12)6(7,8)9/h3H,2,10H2,1H3
InChIKeyYDFCCCLIEFCYFW-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.50
Rot. Bonds1

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

1-ethyl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 19623304) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is 1-ethyl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID19623304
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name1-ethyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCCn1nc(C(F)(F)F)cc1N
InChIInChI=1S/C6H8F3N3/c1-2-12-5(10)3-4(11-12)6(7,8)9/h3H,2,10H2,1H3
InChIKeyYDFCCCLIEFCYFW-UHFFFAOYSA-N
XLogP1.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(5-amino-1-ethylpyrazol-3-yl)propan-2-yl]-1-ethylpyrazol-5-amine;dihydrochloride
CID 102565475
1,5-diethyl-3-(trifluoromethyl)pyrazole
CID 88973141
methyl 1-ethyl-3-(trifluoromethyl)pyrazole-5-carboxylate
CID 121210591
1-ethyl-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117216063
1-ethyl-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole
CID 70851896
1-(chloromethyl)-5-ethyl-3-(trifluoromethyl)pyrazole
CID 121211706
1-ethyl-3-nitropyrazol-5-amine
CID 146680468
1-[4-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-N-methylmethanamine
CID 177142047
1-ethyl-3-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117216049
1-(4-ethyl-2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 156675371
6-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-4-methylpyridin-3-amine
CID 87298995
4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butan-1-amine
CID 139944590

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-ethyl-3-(trifluoromethyl)pyrazol-5-amine (CID 19623304) is 1-ethyl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-ethyl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-ethyl-3-(trifluoromethyl)pyrazol-5-amine is CCn1nc(C(F)(F)F)cc1N.
What is the InChIKey of 1-ethyl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is YDFCCCLIEFCYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-2-12-5(10)3-4(11-12)6(7,8)9/h3H,2,10H2,1H3.
What are the key properties of 1-ethyl-3-(trifluoromethyl)pyrazol-5-amine?
1-ethyl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 179.15 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 19623304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).