2-[(7R)-5-[(3,5-dimethoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-N,N-dimethylethanamine

C20H30N4O2 — CID 124819212

IUPAC2-[(7R)-5-[(3,5-dimethoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-N,N-dimethylethanamine
SMILESCOc1cc(CN2Cc3ccnn3C[C@H](CCN(C)C)C2)cc(OC)c1
InChIInChI=1S/C20H30N4O2/c1-22(2)8-6-16-12-23(15-18-5-7-21-24(18)14-16)13-17-9-19(25-3)11-20(10-17)26-4/h5,7,9-11,16H,6,8,12-15H2,1-4H3/t16-/m1/s1
InChIKeySXUUODKXWPAMIM-MRXNPFEDSA-N
MW358.49 g/mol
LogP2.48
Rot. Bonds7

About 2-[(7R)-5-[(3,5-dimethoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-N,N-dimethylethanamine

2-[(7R)-5-[(3,5-dimethoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-N,N-dimethylethanamine (PubChem CID 124819212) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[(7R)-5-[(3,5-dimethoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(7R)-5-[(3,5-dimethoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-N,N-dimethylethanamine
PubChem CID124819212
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name2-[(7R)-5-[(3,5-dimethoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-N,N-dimethylethanamine
SMILESCOc1cc(CN2Cc3ccnn3C[C@H](CCN(C)C)C2)cc(OC)c1
InChIInChI=1S/C20H30N4O2/c1-22(2)8-6-16-12-23(15-18-5-7-21-24(18)14-16)13-17-9-19(25-3)11-20(10-17)26-4/h5,7,9-11,16H,6,8,12-15H2,1-4H3/t16-/m1/s1
InChIKeySXUUODKXWPAMIM-MRXNPFEDSA-N
XLogP2.48
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(7R)-5-[(3,5-dimethoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-N,N-dimethylethanamine with MolForge

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Related Compounds

(7S)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97463317
(7R)-7-(methoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97463309
N,N-dimethyl-2-[[(7R)-5-[(6-methyl-2-pyridinyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]ethanamine
CID 97463391
2-[[5-(furan-3-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]-N,N-dimethylacetamide
CID 131656833
1-benzofuran-2-yl-[(7S)-7-[2-(dimethylamino)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 124815305
(7R)-7-(ethoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97381865
N,N-dimethyl-2-[[(7R)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide
CID 97463479
N-[[(7R)-5-(1,3-benzodioxol-5-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-2-methoxyacetamide
CID 124789770
N-[[5-[(4-chlorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-2-methoxyacetamide
CID 131663081
N-[[5-[(3,4-difluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-2-methoxyacetamide
CID 131656327
(7R)-5-[(3,4-difluorophenyl)methyl]-7-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 124781866
N,N-dimethyl-2-[5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanamine
CID 133136960

Frequently Asked Questions

What is the IUPAC name of 2-[(7R)-5-[(3,5-dimethoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[(7R)-5-[(3,5-dimethoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-N,N-dimethylethanamine (CID 124819212) is 2-[(7R)-5-[(3,5-dimethoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(7R)-5-[(3,5-dimethoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(7R)-5-[(3,5-dimethoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-N,N-dimethylethanamine is COc1cc(CN2Cc3ccnn3C[C@H](CCN(C)C)C2)cc(OC)c1.
What is the InChIKey of 2-[(7R)-5-[(3,5-dimethoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-N,N-dimethylethanamine?
The InChIKey is SXUUODKXWPAMIM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-22(2)8-6-16-12-23(15-18-5-7-21-24(18)14-16)13-17-9-19(25-3)11-20(10-17)26-4/h5,7,9-11,16H,6,8,12-15H2,1-4H3/t16-/m1/s1.
What are the key properties of 2-[(7R)-5-[(3,5-dimethoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-N,N-dimethylethanamine?
2-[(7R)-5-[(3,5-dimethoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-N,N-dimethylethanamine has a molecular weight of 358.49 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7R)-5-[(3,5-dimethoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 124819212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).