2,9-dimethyl-5-[2-(trifluoromethyl)phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline

C19H16F3N3 — CID 5043160

IUPAC2,9-dimethyl-5-[2-(trifluoromethyl)phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1ccc2c(c1)-c1cc(C)nn1C(c1ccccc1C(F)(F)F)N2
InChIInChI=1S/C19H16F3N3/c1-11-7-8-16-14(9-11)17-10-12(2)24-25(17)18(23-16)13-5-3-4-6-15(13)19(20,21)22/h3-10,18,23H,1-2H3
InChIKeyMHBLNFNNBUCMLC-UHFFFAOYSA-N
MW343.35 g/mol
LogP5.16
Rot. Bonds1

About 2,9-dimethyl-5-[2-(trifluoromethyl)phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline

2,9-dimethyl-5-[2-(trifluoromethyl)phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 5043160) has the molecular formula C19H16F3N3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2,9-dimethyl-5-[2-(trifluoromethyl)phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2,9-dimethyl-5-[2-(trifluoromethyl)phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID5043160
Molecular FormulaC19H16F3N3
Molecular Weight343.35 g/mol
Exact Mass343.13
IUPAC Name2,9-dimethyl-5-[2-(trifluoromethyl)phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1ccc2c(c1)-c1cc(C)nn1C(c1ccccc1C(F)(F)F)N2
InChIInChI=1S/C19H16F3N3/c1-11-7-8-16-14(9-11)17-10-12(2)24-25(17)18(23-16)13-5-3-4-6-15(13)19(20,21)22/h3-10,18,23H,1-2H3
InChIKeyMHBLNFNNBUCMLC-UHFFFAOYSA-N
XLogP5.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.35
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-5-[2-(trifluoromethyl)phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 2,9-dimethyl-5-[2-(trifluoromethyl)phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 5043160) is 2,9-dimethyl-5-[2-(trifluoromethyl)phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 2,9-dimethyl-5-[2-(trifluoromethyl)phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 2,9-dimethyl-5-[2-(trifluoromethyl)phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline is Cc1ccc2c(c1)-c1cc(C)nn1C(c1ccccc1C(F)(F)F)N2.
What is the InChIKey of 2,9-dimethyl-5-[2-(trifluoromethyl)phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is MHBLNFNNBUCMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3/c1-11-7-8-16-14(9-11)17-10-12(2)24-25(17)18(23-16)13-5-3-4-6-15(13)19(20,21)22/h3-10,18,23H,1-2H3.
What are the key properties of 2,9-dimethyl-5-[2-(trifluoromethyl)phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline?
2,9-dimethyl-5-[2-(trifluoromethyl)phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 343.35 g/mol, XLogP of 5.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-5-[2-(trifluoromethyl)phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 5043160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).