[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]methanamine

C7H10F3N3 — CID 66440321

IUPAC[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]methanamine
SMILESCCn1ncc(CN)c1C(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-2-13-6(7(8,9)10)5(3-11)4-12-13/h4H,2-3,11H2,1H3
InChIKeyXEXWULNXGJLRAP-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.38
Rot. Bonds2

About [1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]methanamine

[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]methanamine (PubChem CID 66440321) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is [1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]methanamine
PubChem CID66440321
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]methanamine
SMILESCCn1ncc(CN)c1C(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-2-13-6(7(8,9)10)5(3-11)4-12-13/h4H,2-3,11H2,1H3
InChIKeyXEXWULNXGJLRAP-UHFFFAOYSA-N
XLogP1.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethyl-5-fluoropyrazol-4-yl)methanamine
CID 115011510
[1-ethyl-5-(2-methylpropyl)pyrazol-4-yl]methanamine
CID 105439736
[1-(2-ethylsulfonylethyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
CID 66437258
[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 82527606
4-(chloromethyl)-1-pentan-3-yl-5-(trifluoromethyl)pyrazole
CID 66438825
[1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 66440778
[1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 66440508
[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]methanamine
CID 115068515
5-tert-butyl-1-ethyl-4-methylpyrazole
CID 59146019
[1-ethyl-5-(3-methylphenyl)pyrazol-4-yl]methanamine
CID 105469022
3-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-amine
CID 114666527
N-[[1-butyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66442349

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]methanamine (CID 66440321) is [1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]methanamine is CCn1ncc(CN)c1C(F)(F)F.
What is the InChIKey of [1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]methanamine?
The InChIKey is XEXWULNXGJLRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-2-13-6(7(8,9)10)5(3-11)4-12-13/h4H,2-3,11H2,1H3.
What are the key properties of [1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]methanamine?
[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]methanamine has a molecular weight of 193.17 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 66440321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).