5-amino-1-(1,3-thiazol-2-yl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile

C10H9F3N6S — CID 102796825

IUPAC5-amino-1-(1,3-thiazol-2-yl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
SMILESN#Cc1c(NCCC(F)(F)F)nn(-c2nccs2)c1N
InChIInChI=1S/C10H9F3N6S/c11-10(12,13)1-2-16-8-6(5-14)7(15)19(18-8)9-17-3-4-20-9/h3-4H,1-2,15H2,(H,16,18)
InChIKeyBCHIWACDTMULKB-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.15
Rot. Bonds4

About 5-amino-1-(1,3-thiazol-2-yl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile

5-amino-1-(1,3-thiazol-2-yl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile (PubChem CID 102796825) has the molecular formula C10H9F3N6S and a molecular weight of 302.29 g/mol. Its IUPAC name is 5-amino-1-(1,3-thiazol-2-yl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(1,3-thiazol-2-yl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
PubChem CID102796825
Molecular FormulaC10H9F3N6S
Molecular Weight302.29 g/mol
Exact Mass302.06
IUPAC Name5-amino-1-(1,3-thiazol-2-yl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
SMILESN#Cc1c(NCCC(F)(F)F)nn(-c2nccs2)c1N
InChIInChI=1S/C10H9F3N6S/c11-10(12,13)1-2-16-8-6(5-14)7(15)19(18-8)9-17-3-4-20-9/h3-4H,1-2,15H2,(H,16,18)
InChIKeyBCHIWACDTMULKB-UHFFFAOYSA-N
XLogP2.15
TPSA92.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(1,3-thiazol-2-yl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(1,3-thiazol-2-yl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile (CID 102796825) is 5-amino-1-(1,3-thiazol-2-yl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(1,3-thiazol-2-yl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(1,3-thiazol-2-yl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile is N#Cc1c(NCCC(F)(F)F)nn(-c2nccs2)c1N.
What is the InChIKey of 5-amino-1-(1,3-thiazol-2-yl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile?
The InChIKey is BCHIWACDTMULKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N6S/c11-10(12,13)1-2-16-8-6(5-14)7(15)19(18-8)9-17-3-4-20-9/h3-4H,1-2,15H2,(H,16,18).
What are the key properties of 5-amino-1-(1,3-thiazol-2-yl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile?
5-amino-1-(1,3-thiazol-2-yl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile has a molecular weight of 302.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(1,3-thiazol-2-yl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 102796825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).