1-methyl-2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2,3-dihydroquinazolin-4-one

C19H15F3N4O — CID 146124492

IUPAC1-methyl-2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2,3-dihydroquinazolin-4-one
SMILESCN1c2ccccc2C(=O)NC1c1cnn(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H15F3N4O/c1-25-16-5-3-2-4-15(16)18(27)24-17(25)12-10-23-26(11-12)14-8-6-13(7-9-14)19(20,21)22/h2-11,17H,1H3,(H,24,27)
InChIKeyXZOXHFBBBZOUDZ-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.77
Rot. Bonds2

About 1-methyl-2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2,3-dihydroquinazolin-4-one

1-methyl-2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2,3-dihydroquinazolin-4-one (PubChem CID 146124492) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 1-methyl-2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name1-methyl-2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2,3-dihydroquinazolin-4-one
PubChem CID146124492
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name1-methyl-2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2,3-dihydroquinazolin-4-one
SMILESCN1c2ccccc2C(=O)NC1c1cnn(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H15F3N4O/c1-25-16-5-3-2-4-15(16)18(27)24-17(25)12-10-23-26(11-12)14-8-6-13(7-9-14)19(20,21)22/h2-11,17H,1H3,(H,24,27)
InChIKeyXZOXHFBBBZOUDZ-UHFFFAOYSA-N
XLogP3.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2,3-dihydroquinazolin-4-one?
The IUPAC name of 1-methyl-2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2,3-dihydroquinazolin-4-one (CID 146124492) is 1-methyl-2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2,3-dihydroquinazolin-4-one.
What is the SMILES notation for 1-methyl-2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2,3-dihydroquinazolin-4-one?
The canonical SMILES for 1-methyl-2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2,3-dihydroquinazolin-4-one is CN1c2ccccc2C(=O)NC1c1cnn(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-methyl-2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2,3-dihydroquinazolin-4-one?
The InChIKey is XZOXHFBBBZOUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c1-25-16-5-3-2-4-15(16)18(27)24-17(25)12-10-23-26(11-12)14-8-6-13(7-9-14)19(20,21)22/h2-11,17H,1H3,(H,24,27).
What are the key properties of 1-methyl-2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2,3-dihydroquinazolin-4-one?
1-methyl-2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2,3-dihydroquinazolin-4-one has a molecular weight of 372.35 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2,3-dihydroquinazolin-4-one is sourced from PubChem (CID 146124492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).