1,3-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine

C8H13F3N4 — CID 63226212

IUPAC1,3-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
SMILESCc1nn(C)c(NCCC(F)(F)F)c1N
InChIInChI=1S/C8H13F3N4/c1-5-6(12)7(15(2)14-5)13-4-3-8(9,10)11/h13H,3-4,12H2,1-2H3
InChIKeyPMTFCXUVDFGYJT-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.68
Rot. Bonds3

About 1,3-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine

1,3-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine (PubChem CID 63226212) has the molecular formula C8H13F3N4 and a molecular weight of 222.21 g/mol. Its IUPAC name is 1,3-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1,3-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
PubChem CID63226212
Molecular FormulaC8H13F3N4
Molecular Weight222.21 g/mol
Exact Mass222.11
IUPAC Name1,3-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
SMILESCc1nn(C)c(NCCC(F)(F)F)c1N
InChIInChI=1S/C8H13F3N4/c1-5-6(12)7(15(2)14-5)13-4-3-8(9,10)11/h13H,3-4,12H2,1-2H3
InChIKeyPMTFCXUVDFGYJT-UHFFFAOYSA-N
XLogP1.68
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
The IUPAC name of 1,3-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine (CID 63226212) is 1,3-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1,3-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
The canonical SMILES for 1,3-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine is Cc1nn(C)c(NCCC(F)(F)F)c1N.
What is the InChIKey of 1,3-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
The InChIKey is PMTFCXUVDFGYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4/c1-5-6(12)7(15(2)14-5)13-4-3-8(9,10)11/h13H,3-4,12H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine?
1,3-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine has a molecular weight of 222.21 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine is sourced from PubChem (CID 63226212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).