5-amino-1-methyl-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile

C8H10F3N5 — CID 102795422

IUPAC5-amino-1-methyl-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
SMILESCn1nc(NCCC(F)(F)F)c(C#N)c1N
InChIInChI=1S/C8H10F3N5/c1-16-6(13)5(4-12)7(15-16)14-3-2-8(9,10)11/h2-3,13H2,1H3,(H,14,15)
InChIKeyBCDVCTJROZRMLV-UHFFFAOYSA-N
MW233.20 g/mol
LogP1.24
Rot. Bonds3

About 5-amino-1-methyl-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile

5-amino-1-methyl-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile (PubChem CID 102795422) has the molecular formula C8H10F3N5 and a molecular weight of 233.20 g/mol. Its IUPAC name is 5-amino-1-methyl-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-methyl-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
PubChem CID102795422
Molecular FormulaC8H10F3N5
Molecular Weight233.20 g/mol
Exact Mass233.09
IUPAC Name5-amino-1-methyl-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
SMILESCn1nc(NCCC(F)(F)F)c(C#N)c1N
InChIInChI=1S/C8H10F3N5/c1-16-6(13)5(4-12)7(15-16)14-3-2-8(9,10)11/h2-3,13H2,1H3,(H,14,15)
InChIKeyBCDVCTJROZRMLV-UHFFFAOYSA-N
XLogP1.24
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-methyl-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile (CID 102795422) is 5-amino-1-methyl-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-methyl-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-methyl-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile is Cn1nc(NCCC(F)(F)F)c(C#N)c1N.
What is the InChIKey of 5-amino-1-methyl-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile?
The InChIKey is BCDVCTJROZRMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N5/c1-16-6(13)5(4-12)7(15-16)14-3-2-8(9,10)11/h2-3,13H2,1H3,(H,14,15).
What are the key properties of 5-amino-1-methyl-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile?
5-amino-1-methyl-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile has a molecular weight of 233.20 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 102795422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).