3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine

C8H10F3N3 — CID 169463846

IUPAC3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine
SMILESCc1[nH]nc(C(F)(F)F)c1C=CCN
InChIInChI=1S/C8H10F3N3/c1-5-6(3-2-4-12)7(14-13-5)8(9,10)11/h2-3H,4,12H2,1H3,(H,13,14)
InChIKeyITKUTTDRCJTXSQ-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.71
Rot. Bonds2

About 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine

3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine (PubChem CID 169463846) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine.

Molecular Properties

Compound Name3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine
PubChem CID169463846
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine
SMILESCc1[nH]nc(C(F)(F)F)c1C=CCN
InChIInChI=1S/C8H10F3N3/c1-5-6(3-2-4-12)7(14-13-5)8(9,10)11/h2-3H,4,12H2,1H3,(H,13,14)
InChIKeyITKUTTDRCJTXSQ-UHFFFAOYSA-N
XLogP1.71
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine?
The IUPAC name of 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine (CID 169463846) is 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine.
What is the SMILES notation for 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine?
The canonical SMILES for 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine is Cc1[nH]nc(C(F)(F)F)c1C=CCN.
What is the InChIKey of 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine?
The InChIKey is ITKUTTDRCJTXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-5-6(3-2-4-12)7(14-13-5)8(9,10)11/h2-3H,4,12H2,1H3,(H,13,14).
What are the key properties of 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine?
3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine has a molecular weight of 205.18 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-amine is sourced from PubChem (CID 169463846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).