2-[3-(5-amino-6-pyrazol-1-ylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol

C17H16F3N5O2 — CID 139465760

IUPAC2-[3-(5-amino-6-pyrazol-1-ylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol
SMILESCc1ccc(C(O)(CO)C(F)(F)F)cc1-c1cnc(N)c(-n2cccn2)n1
InChIInChI=1S/C17H16F3N5O2/c1-10-3-4-11(16(27,9-26)17(18,19)20)7-12(10)13-8-22-14(21)15(24-13)25-6-2-5-23-25/h2-8,26-27H,9H2,1H3,(H2,21,22)
InChIKeyWLIRQCLBRKELCJ-UHFFFAOYSA-N
MW379.34 g/mol
LogP1.96
Rot. Bonds4

About 2-[3-(5-amino-6-pyrazol-1-ylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol

2-[3-(5-amino-6-pyrazol-1-ylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol (PubChem CID 139465760) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is 2-[3-(5-amino-6-pyrazol-1-ylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol.

Molecular Properties

Compound Name2-[3-(5-amino-6-pyrazol-1-ylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol
PubChem CID139465760
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC Name2-[3-(5-amino-6-pyrazol-1-ylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol
SMILESCc1ccc(C(O)(CO)C(F)(F)F)cc1-c1cnc(N)c(-n2cccn2)n1
InChIInChI=1S/C17H16F3N5O2/c1-10-3-4-11(16(27,9-26)17(18,19)20)7-12(10)13-8-22-14(21)15(24-13)25-6-2-5-23-25/h2-8,26-27H,9H2,1H3,(H2,21,22)
InChIKeyWLIRQCLBRKELCJ-UHFFFAOYSA-N
XLogP1.96
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[3-(5-amino-6-pyrazol-1-ylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol with MolForge

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Related Compounds

4-[4-Amino-5-[3-ethyl-5-fluoro-4-(hydroxymethyl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 90389165
US10246456, Example 54
CID 118663996
US10738057, Example 7
CID 138561688
US10738057, Example 32
CID 138561694
US10738057, Example 264
CID 138562149
US10738057, Example 23
CID 138562184
US10738057, Example 18
CID 138562236
US10738057, Example 1
CID 138562240
US10738057, Example 24
CID 138562261
US10738057, Example 79
CID 138562342
US10738057, Example 65
CID 138562361
US10738057, Example 2
CID 138562529

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-amino-6-pyrazol-1-ylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol?
The IUPAC name of 2-[3-(5-amino-6-pyrazol-1-ylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol (CID 139465760) is 2-[3-(5-amino-6-pyrazol-1-ylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol.
What is the SMILES notation for 2-[3-(5-amino-6-pyrazol-1-ylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol?
The canonical SMILES for 2-[3-(5-amino-6-pyrazol-1-ylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol is Cc1ccc(C(O)(CO)C(F)(F)F)cc1-c1cnc(N)c(-n2cccn2)n1.
What is the InChIKey of 2-[3-(5-amino-6-pyrazol-1-ylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol?
The InChIKey is WLIRQCLBRKELCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c1-10-3-4-11(16(27,9-26)17(18,19)20)7-12(10)13-8-22-14(21)15(24-13)25-6-2-5-23-25/h2-8,26-27H,9H2,1H3,(H2,21,22).
What are the key properties of 2-[3-(5-amino-6-pyrazol-1-ylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol?
2-[3-(5-amino-6-pyrazol-1-ylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol has a molecular weight of 379.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-amino-6-pyrazol-1-ylpyrazin-2-yl)-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol is sourced from PubChem (CID 139465760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).