2-(3,5-dimethylpyrazol-1-yl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline

C15H17F3N4 — CID 2942005

IUPAC2-(3,5-dimethylpyrazol-1-yl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
SMILESCc1cc(C)n(-c2nc3c(c(C(F)(F)F)n2)CC(C)CC3)n1
InChIInChI=1S/C15H17F3N4/c1-8-4-5-12-11(6-8)13(15(16,17)18)20-14(19-12)22-10(3)7-9(2)21-22/h7-8H,4-6H2,1-3H3
InChIKeySDXRREWLIGYGBU-UHFFFAOYSA-N
MW310.32 g/mol
LogP3.42
Rot. Bonds1

About 2-(3,5-dimethylpyrazol-1-yl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline

2-(3,5-dimethylpyrazol-1-yl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 2942005) has the molecular formula C15H17F3N4 and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
PubChem CID2942005
Molecular FormulaC15H17F3N4
Molecular Weight310.32 g/mol
Exact Mass310.14
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
SMILESCc1cc(C)n(-c2nc3c(c(C(F)(F)F)n2)CC(C)CC3)n1
InChIInChI=1S/C15H17F3N4/c1-8-4-5-12-11(6-8)13(15(16,17)18)20-14(19-12)22-10(3)7-9(2)21-22/h7-8H,4-6H2,1-3H3
InChIKeySDXRREWLIGYGBU-UHFFFAOYSA-N
XLogP3.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline (CID 2942005) is 2-(3,5-dimethylpyrazol-1-yl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline is Cc1cc(C)n(-c2nc3c(c(C(F)(F)F)n2)CC(C)CC3)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is SDXRREWLIGYGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4/c1-8-4-5-12-11(6-8)13(15(16,17)18)20-14(19-12)22-10(3)7-9(2)21-22/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline?
2-(3,5-dimethylpyrazol-1-yl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 310.32 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 2942005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).