(7R)-7-methoxy-5-(2-phenylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

C16H21N3O — CID 124795614

IUPAC(7R)-7-methoxy-5-(2-phenylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCO[C@@H]1CN(CCc2ccccc2)Cc2ccnn2C1
InChIInChI=1S/C16H21N3O/c1-20-16-12-18(10-8-14-5-3-2-4-6-14)11-15-7-9-17-19(15)13-16/h2-7,9,16H,8,10-13H2,1H3/t16-/m1/s1
InChIKeyQJAVIZPYMQJTAS-MRXNPFEDSA-N
MW271.36 g/mol
LogP1.96
Rot. Bonds4

About (7R)-7-methoxy-5-(2-phenylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

(7R)-7-methoxy-5-(2-phenylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (PubChem CID 124795614) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (7R)-7-methoxy-5-(2-phenylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name(7R)-7-methoxy-5-(2-phenylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
PubChem CID124795614
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(7R)-7-methoxy-5-(2-phenylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCO[C@@H]1CN(CCc2ccccc2)Cc2ccnn2C1
InChIInChI=1S/C16H21N3O/c1-20-16-12-18(10-8-14-5-3-2-4-6-14)11-15-7-9-17-19(15)13-16/h2-7,9,16H,8,10-13H2,1H3/t16-/m1/s1
InChIKeyQJAVIZPYMQJTAS-MRXNPFEDSA-N
XLogP1.96
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7R)-7-methoxy-5-(2-phenylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine with MolForge

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Related Compounds

3-(4-ethoxyphenyl)-1-[(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propan-1-one
CID 124796563
2-(2,3-dihydro-1H-inden-2-yl)-1-(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone
CID 131648447
5-benzyl-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 162422052
5-(2-phenylmethoxyethyl)-7-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131647854
5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 67958777
(7R)-7-(methoxymethyl)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124796899
(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-quinolin-2-ylmethanone
CID 131638697
(7S)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97463317
3-methoxy-1-(4-phenylbutyl)piperidine
CID 137341272
3-(2-phenylethyl)-6-oxa-3-azabicyclo[3.1.0]hexane
CID 54116015
(7S)-5-(oxan-4-ylmethyl)-7-(pyridin-3-ylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 124909459
(7R)-7-(methoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97463309

Frequently Asked Questions

What is the IUPAC name of (7R)-7-methoxy-5-(2-phenylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of (7R)-7-methoxy-5-(2-phenylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (CID 124795614) is (7R)-7-methoxy-5-(2-phenylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for (7R)-7-methoxy-5-(2-phenylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for (7R)-7-methoxy-5-(2-phenylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is CO[C@@H]1CN(CCc2ccccc2)Cc2ccnn2C1.
What is the InChIKey of (7R)-7-methoxy-5-(2-phenylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The InChIKey is QJAVIZPYMQJTAS-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-16-12-18(10-8-14-5-3-2-4-6-14)11-15-7-9-17-19(15)13-16/h2-7,9,16H,8,10-13H2,1H3/t16-/m1/s1.
What are the key properties of (7R)-7-methoxy-5-(2-phenylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
(7R)-7-methoxy-5-(2-phenylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine has a molecular weight of 271.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-methoxy-5-(2-phenylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 124795614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).