3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole-4,5-diamine

C7H9F3N4 — CID 146482441

IUPAC3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole-4,5-diamine
SMILESC=C(n1nc(C)c(N)c1N)C(F)(F)F
InChIInChI=1S/C7H9F3N4/c1-3-5(11)6(12)14(13-3)4(2)7(8,9)10/h2,11-12H2,1H3
InChIKeyFQSDLAALLGIPFU-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.39
Rot. Bonds1

About 3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole-4,5-diamine

3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole-4,5-diamine (PubChem CID 146482441) has the molecular formula C7H9F3N4 and a molecular weight of 206.17 g/mol. Its IUPAC name is 3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole-4,5-diamine
PubChem CID146482441
Molecular FormulaC7H9F3N4
Molecular Weight206.17 g/mol
Exact Mass206.08
IUPAC Name3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole-4,5-diamine
SMILESC=C(n1nc(C)c(N)c1N)C(F)(F)F
InChIInChI=1S/C7H9F3N4/c1-3-5(11)6(12)14(13-3)4(2)7(8,9)10/h2,11-12H2,1H3
InChIKeyFQSDLAALLGIPFU-UHFFFAOYSA-N
XLogP1.39
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole-4,5-diamine?
The IUPAC name of 3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole-4,5-diamine (CID 146482441) is 3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole-4,5-diamine.
What is the SMILES notation for 3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole-4,5-diamine?
The canonical SMILES for 3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole-4,5-diamine is C=C(n1nc(C)c(N)c1N)C(F)(F)F.
What is the InChIKey of 3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole-4,5-diamine?
The InChIKey is FQSDLAALLGIPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4/c1-3-5(11)6(12)14(13-3)4(2)7(8,9)10/h2,11-12H2,1H3.
What are the key properties of 3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole-4,5-diamine?
3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole-4,5-diamine has a molecular weight of 206.17 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)pyrazole-4,5-diamine is sourced from PubChem (CID 146482441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).