5-amino-3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazole-4-carbonitrile

C8H10F3N5 — CID 102795607

IUPAC5-amino-3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazole-4-carbonitrile
SMILESCN(CCC(F)(F)F)c1n[nH]c(N)c1C#N
InChIInChI=1S/C8H10F3N5/c1-16(3-2-8(9,10)11)7-5(4-12)6(13)14-15-7/h2-3H2,1H3,(H3,13,14,15)
InChIKeyUDCNBHBFEONTAE-UHFFFAOYSA-N
MW233.20 g/mol
LogP1.25
Rot. Bonds3

About 5-amino-3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazole-4-carbonitrile

5-amino-3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazole-4-carbonitrile (PubChem CID 102795607) has the molecular formula C8H10F3N5 and a molecular weight of 233.20 g/mol. Its IUPAC name is 5-amino-3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazole-4-carbonitrile
PubChem CID102795607
Molecular FormulaC8H10F3N5
Molecular Weight233.20 g/mol
Exact Mass233.09
IUPAC Name5-amino-3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazole-4-carbonitrile
SMILESCN(CCC(F)(F)F)c1n[nH]c(N)c1C#N
InChIInChI=1S/C8H10F3N5/c1-16(3-2-8(9,10)11)7-5(4-12)6(13)14-15-7/h2-3H2,1H3,(H3,13,14,15)
InChIKeyUDCNBHBFEONTAE-UHFFFAOYSA-N
XLogP1.25
TPSA81.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazole-4-carbonitrile (CID 102795607) is 5-amino-3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazole-4-carbonitrile is CN(CCC(F)(F)F)c1n[nH]c(N)c1C#N.
What is the InChIKey of 5-amino-3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazole-4-carbonitrile?
The InChIKey is UDCNBHBFEONTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N5/c1-16(3-2-8(9,10)11)7-5(4-12)6(13)14-15-7/h2-3H2,1H3,(H3,13,14,15).
What are the key properties of 5-amino-3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazole-4-carbonitrile?
5-amino-3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazole-4-carbonitrile has a molecular weight of 233.20 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 102795607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).