5-(4-methylphenyl)-3-propan-2-yl-1-propyl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one

C19H24N4O — CID 22281651

IUPAC5-(4-methylphenyl)-3-propan-2-yl-1-propyl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one
SMILESCCCn1nc(C(C)C)c2c1C(=O)NCC(c1ccc(C)cc1)=N2
InChIInChI=1S/C19H24N4O/c1-5-10-23-18-17(16(22-23)12(2)3)21-15(11-20-19(18)24)14-8-6-13(4)7-9-14/h6-9,12H,5,10-11H2,1-4H3,(H,20,24)
InChIKeyUEKCOHNJLIIPIH-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.59
Rot. Bonds4

About 5-(4-methylphenyl)-3-propan-2-yl-1-propyl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one

5-(4-methylphenyl)-3-propan-2-yl-1-propyl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one (PubChem CID 22281651) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-propan-2-yl-1-propyl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-propan-2-yl-1-propyl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one
PubChem CID22281651
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name5-(4-methylphenyl)-3-propan-2-yl-1-propyl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one
SMILESCCCn1nc(C(C)C)c2c1C(=O)NCC(c1ccc(C)cc1)=N2
InChIInChI=1S/C19H24N4O/c1-5-10-23-18-17(16(22-23)12(2)3)21-15(11-20-19(18)24)14-8-6-13(4)7-9-14/h6-9,12H,5,10-11H2,1-4H3,(H,20,24)
InChIKeyUEKCOHNJLIIPIH-UHFFFAOYSA-N
XLogP3.59
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-propan-2-yl-1-propyl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one?
The IUPAC name of 5-(4-methylphenyl)-3-propan-2-yl-1-propyl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one (CID 22281651) is 5-(4-methylphenyl)-3-propan-2-yl-1-propyl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one.
What is the SMILES notation for 5-(4-methylphenyl)-3-propan-2-yl-1-propyl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one?
The canonical SMILES for 5-(4-methylphenyl)-3-propan-2-yl-1-propyl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one is CCCn1nc(C(C)C)c2c1C(=O)NCC(c1ccc(C)cc1)=N2.
What is the InChIKey of 5-(4-methylphenyl)-3-propan-2-yl-1-propyl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one?
The InChIKey is UEKCOHNJLIIPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-5-10-23-18-17(16(22-23)12(2)3)21-15(11-20-19(18)24)14-8-6-13(4)7-9-14/h6-9,12H,5,10-11H2,1-4H3,(H,20,24).
What are the key properties of 5-(4-methylphenyl)-3-propan-2-yl-1-propyl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one?
5-(4-methylphenyl)-3-propan-2-yl-1-propyl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one has a molecular weight of 324.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-propan-2-yl-1-propyl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one is sourced from PubChem (CID 22281651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).