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

C7H8F3N5 — CID 102795608

IUPAC5-amino-3-(3,3,3-trifluoropropylamino)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(NCCC(F)(F)F)n[nH]c1N
InChIInChI=1S/C7H8F3N5/c8-7(9,10)1-2-13-6-4(3-11)5(12)14-15-6/h1-2H2,(H4,12,13,14,15)
InChIKeyMGQAPUGDIVRMGG-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.23
Rot. Bonds3

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

5-amino-3-(3,3,3-trifluoropropylamino)-1H-pyrazole-4-carbonitrile (PubChem CID 102795608) has the molecular formula C7H8F3N5 and a molecular weight of 219.17 g/mol. Its IUPAC name is 5-amino-3-(3,3,3-trifluoropropylamino)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(3,3,3-trifluoropropylamino)-1H-pyrazole-4-carbonitrile
PubChem CID102795608
Molecular FormulaC7H8F3N5
Molecular Weight219.17 g/mol
Exact Mass219.07
IUPAC Name5-amino-3-(3,3,3-trifluoropropylamino)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(NCCC(F)(F)F)n[nH]c1N
InChIInChI=1S/C7H8F3N5/c8-7(9,10)1-2-13-6-4(3-11)5(12)14-15-6/h1-2H2,(H4,12,13,14,15)
InChIKeyMGQAPUGDIVRMGG-UHFFFAOYSA-N
XLogP1.23
TPSA90.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3,3,3-trifluoropropylamino)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(3,3,3-trifluoropropylamino)-1H-pyrazole-4-carbonitrile (CID 102795608) is 5-amino-3-(3,3,3-trifluoropropylamino)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(3,3,3-trifluoropropylamino)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(3,3,3-trifluoropropylamino)-1H-pyrazole-4-carbonitrile is N#Cc1c(NCCC(F)(F)F)n[nH]c1N.
What is the InChIKey of 5-amino-3-(3,3,3-trifluoropropylamino)-1H-pyrazole-4-carbonitrile?
The InChIKey is MGQAPUGDIVRMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N5/c8-7(9,10)1-2-13-6-4(3-11)5(12)14-15-6/h1-2H2,(H4,12,13,14,15).
What are the key properties of 5-amino-3-(3,3,3-trifluoropropylamino)-1H-pyrazole-4-carbonitrile?
5-amino-3-(3,3,3-trifluoropropylamino)-1H-pyrazole-4-carbonitrile has a molecular weight of 219.17 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3,3,3-trifluoropropylamino)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 102795608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).