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

C20H25N3O2 — CID 53186275

IUPACcyclopentyl-[2-(3-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
SMILESCOc1cccc(-c2cc3n(n2)CCCN(C(=O)C2CCCC2)C3)c1
InChIInChI=1S/C20H25N3O2/c1-25-18-9-4-8-16(12-18)19-13-17-14-22(10-5-11-23(17)21-19)20(24)15-6-2-3-7-15/h4,8-9,12-13,15H,2-3,5-7,10-11,14H2,1H3
InChIKeyQQIPJSXVTCCSGJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.48
Rot. Bonds3

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

cyclopentyl-[2-(3-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone (PubChem CID 53186275) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is cyclopentyl-[2-(3-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[2-(3-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
PubChem CID53186275
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Namecyclopentyl-[2-(3-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
SMILESCOc1cccc(-c2cc3n(n2)CCCN(C(=O)C2CCCC2)C3)c1
InChIInChI=1S/C20H25N3O2/c1-25-18-9-4-8-16(12-18)19-13-17-14-22(10-5-11-23(17)21-19)20(24)15-6-2-3-7-15/h4,8-9,12-13,15H,2-3,5-7,10-11,14H2,1H3
InChIKeyQQIPJSXVTCCSGJ-UHFFFAOYSA-N
XLogP3.48
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[2-(3-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The IUPAC name of cyclopentyl-[2-(3-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone (CID 53186275) is cyclopentyl-[2-(3-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone.
What is the SMILES notation for cyclopentyl-[2-(3-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The canonical SMILES for cyclopentyl-[2-(3-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone is COc1cccc(-c2cc3n(n2)CCCN(C(=O)C2CCCC2)C3)c1.
What is the InChIKey of cyclopentyl-[2-(3-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The InChIKey is QQIPJSXVTCCSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-18-9-4-8-16(12-18)19-13-17-14-22(10-5-11-23(17)21-19)20(24)15-6-2-3-7-15/h4,8-9,12-13,15H,2-3,5-7,10-11,14H2,1H3.
What are the key properties of cyclopentyl-[2-(3-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
cyclopentyl-[2-(3-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[2-(3-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone is sourced from PubChem (CID 53186275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).