2,7-dimethyl-5-[(Z)-2-phenylethenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline

C20H19N3 — CID 135686062

IUPAC2,7-dimethyl-5-[(Z)-2-phenylethenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)C(/C=C\c1ccccc1)Nc1c(C)cccc1-2
InChIInChI=1S/C20H19N3/c1-14-7-6-10-17-18-13-15(2)22-23(18)19(21-20(14)17)12-11-16-8-4-3-5-9-16/h3-13,19,21H,1-2H3/b12-11-
InChIKeyLXIOMDIBVGBRQH-QXMHVHEDSA-N
MW301.39 g/mol
LogP4.80
Rot. Bonds2

About 2,7-dimethyl-5-[(Z)-2-phenylethenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline

2,7-dimethyl-5-[(Z)-2-phenylethenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 135686062) has the molecular formula C20H19N3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2,7-dimethyl-5-[(Z)-2-phenylethenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2,7-dimethyl-5-[(Z)-2-phenylethenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID135686062
Molecular FormulaC20H19N3
Molecular Weight301.39 g/mol
Exact Mass301.16
IUPAC Name2,7-dimethyl-5-[(Z)-2-phenylethenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)C(/C=C\c1ccccc1)Nc1c(C)cccc1-2
InChIInChI=1S/C20H19N3/c1-14-7-6-10-17-18-13-15(2)22-23(18)19(21-20(14)17)12-11-16-8-4-3-5-9-16/h3-13,19,21H,1-2H3/b12-11-
InChIKeyLXIOMDIBVGBRQH-QXMHVHEDSA-N
XLogP4.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5-[(Z)-2-phenylethenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 2,7-dimethyl-5-[(Z)-2-phenylethenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 135686062) is 2,7-dimethyl-5-[(Z)-2-phenylethenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 2,7-dimethyl-5-[(Z)-2-phenylethenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 2,7-dimethyl-5-[(Z)-2-phenylethenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline is Cc1cc2n(n1)C(/C=C\c1ccccc1)Nc1c(C)cccc1-2.
What is the InChIKey of 2,7-dimethyl-5-[(Z)-2-phenylethenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is LXIOMDIBVGBRQH-QXMHVHEDSA-N. The full InChI is InChI=1S/C20H19N3/c1-14-7-6-10-17-18-13-15(2)22-23(18)19(21-20(14)17)12-11-16-8-4-3-5-9-16/h3-13,19,21H,1-2H3/b12-11-.
What are the key properties of 2,7-dimethyl-5-[(Z)-2-phenylethenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline?
2,7-dimethyl-5-[(Z)-2-phenylethenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 301.39 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5-[(Z)-2-phenylethenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 135686062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).