1-[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-methoxypropan-1-one

C19H25N3O2 — CID 53186297

IUPAC1-[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-methoxypropan-1-one
SMILESCCc1ccc(-c2cc3n(n2)CCCN(C(=O)CCOC)C3)cc1
InChIInChI=1S/C19H25N3O2/c1-3-15-5-7-16(8-6-15)18-13-17-14-21(19(23)9-12-24-2)10-4-11-22(17)20-18/h5-8,13H,3-4,9-12,14H2,1-2H3
InChIKeyBGHDLPMPLQAXJA-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.88
Rot. Bonds5

About 1-[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-methoxypropan-1-one

1-[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-methoxypropan-1-one (PubChem CID 53186297) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-methoxypropan-1-one
PubChem CID53186297
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-methoxypropan-1-one
SMILESCCc1ccc(-c2cc3n(n2)CCCN(C(=O)CCOC)C3)cc1
InChIInChI=1S/C19H25N3O2/c1-3-15-5-7-16(8-6-15)18-13-17-14-21(19(23)9-12-24-2)10-4-11-22(17)20-18/h5-8,13H,3-4,9-12,14H2,1-2H3
InChIKeyBGHDLPMPLQAXJA-UHFFFAOYSA-N
XLogP2.88
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-methoxypropan-1-one (CID 53186297) is 1-[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-methoxypropan-1-one is CCc1ccc(-c2cc3n(n2)CCCN(C(=O)CCOC)C3)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-methoxypropan-1-one?
The InChIKey is BGHDLPMPLQAXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-15-5-7-16(8-6-15)18-13-17-14-21(19(23)9-12-24-2)10-4-11-22(17)20-18/h5-8,13H,3-4,9-12,14H2,1-2H3.
What are the key properties of 1-[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-methoxypropan-1-one?
1-[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-methoxypropan-1-one has a molecular weight of 327.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 53186297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).