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

C18H16FN3 — CID 3158674

IUPAC5-(2-fluorophenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1ccc2c(c1)-c1cc(C)nn1C(c1ccccc1F)N2
InChIInChI=1S/C18H16FN3/c1-11-7-8-16-14(9-11)17-10-12(2)21-22(17)18(20-16)13-5-3-4-6-15(13)19/h3-10,18,20H,1-2H3
InChIKeySNMVDGHFHLFIAV-UHFFFAOYSA-N
MW293.34 g/mol
LogP4.28
Rot. Bonds1

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

5-(2-fluorophenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 3158674) has the molecular formula C18H16FN3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-(2-fluorophenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID3158674
Molecular FormulaC18H16FN3
Molecular Weight293.34 g/mol
Exact Mass293.13
IUPAC Name5-(2-fluorophenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1ccc2c(c1)-c1cc(C)nn1C(c1ccccc1F)N2
InChIInChI=1S/C18H16FN3/c1-11-7-8-16-14(9-11)17-10-12(2)21-22(17)18(20-16)13-5-3-4-6-15(13)19/h3-10,18,20H,1-2H3
InChIKeySNMVDGHFHLFIAV-UHFFFAOYSA-N
XLogP4.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 5-(2-fluorophenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 3158674) is 5-(2-fluorophenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-(2-fluorophenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 5-(2-fluorophenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline is Cc1ccc2c(c1)-c1cc(C)nn1C(c1ccccc1F)N2.
What is the InChIKey of 5-(2-fluorophenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is SNMVDGHFHLFIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3/c1-11-7-8-16-14(9-11)17-10-12(2)21-22(17)18(20-16)13-5-3-4-6-15(13)19/h3-10,18,20H,1-2H3.
What are the key properties of 5-(2-fluorophenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
5-(2-fluorophenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 293.34 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 3158674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).