4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-a]pyrazin-3-yl]phenol

C17H12F3N5O — CID 162654828

IUPAC4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCn1nc(C(F)(F)F)cc1-c1cn2c(-c3ccc(O)cc3)cnc2cn1
InChIInChI=1S/C17H12F3N5O/c1-24-13(6-15(23-24)17(18,19)20)12-9-25-14(7-22-16(25)8-21-12)10-2-4-11(26)5-3-10/h2-9,26H,1H3
InChIKeyVGHZZDJWKVEHRZ-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.52
Rot. Bonds2

About 4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-a]pyrazin-3-yl]phenol

4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 162654828) has the molecular formula C17H12F3N5O and a molecular weight of 359.31 g/mol. Its IUPAC name is 4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID162654828
Molecular FormulaC17H12F3N5O
Molecular Weight359.31 g/mol
Exact Mass359.10
IUPAC Name4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCn1nc(C(F)(F)F)cc1-c1cn2c(-c3ccc(O)cc3)cnc2cn1
InChIInChI=1S/C17H12F3N5O/c1-24-13(6-15(23-24)17(18,19)20)12-9-25-14(7-22-16(25)8-21-12)10-2-4-11(26)5-3-10/h2-9,26H,1H3
InChIKeyVGHZZDJWKVEHRZ-UHFFFAOYSA-N
XLogP3.52
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-a]pyrazin-3-yl]phenol (CID 162654828) is 4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-a]pyrazin-3-yl]phenol is Cn1nc(C(F)(F)F)cc1-c1cn2c(-c3ccc(O)cc3)cnc2cn1.
What is the InChIKey of 4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is VGHZZDJWKVEHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O/c1-24-13(6-15(23-24)17(18,19)20)12-9-25-14(7-22-16(25)8-21-12)10-2-4-11(26)5-3-10/h2-9,26H,1H3.
What are the key properties of 4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-a]pyrazin-3-yl]phenol?
4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 359.31 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 162654828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).