[2-(4-methylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(oxolan-3-yl)methanone

C19H23N3O2 — CID 53165011

IUPAC[2-(4-methylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(oxolan-3-yl)methanone
SMILESCc1ccc(-c2cc3n(n2)CCCN(C(=O)C2CCOC2)C3)cc1
InChIInChI=1S/C19H23N3O2/c1-14-3-5-15(6-4-14)18-11-17-12-21(8-2-9-22(17)20-18)19(23)16-7-10-24-13-16/h3-6,11,16H,2,7-10,12-13H2,1H3
InChIKeyGYWSZCITUARUIF-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.63
Rot. Bonds2

About [2-(4-methylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(oxolan-3-yl)methanone

[2-(4-methylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(oxolan-3-yl)methanone (PubChem CID 53165011) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [2-(4-methylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[2-(4-methylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(oxolan-3-yl)methanone
PubChem CID53165011
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[2-(4-methylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(oxolan-3-yl)methanone
SMILESCc1ccc(-c2cc3n(n2)CCCN(C(=O)C2CCOC2)C3)cc1
InChIInChI=1S/C19H23N3O2/c1-14-3-5-15(6-4-14)18-11-17-12-21(8-2-9-22(17)20-18)19(23)16-7-10-24-13-16/h3-6,11,16H,2,7-10,12-13H2,1H3
InChIKeyGYWSZCITUARUIF-UHFFFAOYSA-N
XLogP2.63
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-Fluorophenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepin-5-YL]ethan-1-one
CID 53014806
cyclopropyl[2-(3-fluorophenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]methanone
CID 53014807
1-[2-(3-fluorophenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-1-ethanone
CID 53014809
2-(2-Fluorophenyl)-1-[2-(4-methylphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepin-5-YL]ethan-1-one
CID 53165024
5-(ethoxyacetyl)-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 53186282
5-(3-methoxypropanoyl)-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 53186284
5-Cyclobutanecarbonyl-2-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepine
CID 53186289
1-[2-(4-Fluorophenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepin-5-YL]pentan-1-one
CID 53186314
2-(4-Fluorophenyl)-1-[7-(methoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 118740951
2-(3-Fluorophenyl)-1-[7-(methoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 118744982
1-[2-(3-Methylphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepin-5-YL]-4-phenylbutan-1-one
CID 53165040
[2-(3-chlorophenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl](tetrahydro-3-furanyl)methanone
CID 53165098

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [2-(4-methylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(oxolan-3-yl)methanone (CID 53165011) is [2-(4-methylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [2-(4-methylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [2-(4-methylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(oxolan-3-yl)methanone is Cc1ccc(-c2cc3n(n2)CCCN(C(=O)C2CCOC2)C3)cc1.
What is the InChIKey of [2-(4-methylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(oxolan-3-yl)methanone?
The InChIKey is GYWSZCITUARUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-3-5-15(6-4-14)18-11-17-12-21(8-2-9-22(17)20-18)19(23)16-7-10-24-13-16/h3-6,11,16H,2,7-10,12-13H2,1H3.
What are the key properties of [2-(4-methylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(oxolan-3-yl)methanone?
[2-(4-methylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(oxolan-3-yl)methanone has a molecular weight of 325.41 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 53165011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).