(7S)-7-(ethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

C15H23N5O — CID 97463343

IUPAC(7S)-7-(ethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCCOC[C@H]1CN(Cc2nccn2C)Cc2ccnn2C1
InChIInChI=1S/C15H23N5O/c1-3-21-12-13-8-19(11-15-16-6-7-18(15)2)10-14-4-5-17-20(14)9-13/h4-7,13H,3,8-12H2,1-2H3/t13-/m0/s1
InChIKeyMRNSQZJYVWCERX-ZDUSSCGKSA-N
MW289.38 g/mol
LogP1.29
Rot. Bonds5

About (7S)-7-(ethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

(7S)-7-(ethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (PubChem CID 97463343) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (7S)-7-(ethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name(7S)-7-(ethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
PubChem CID97463343
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(7S)-7-(ethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCCOC[C@H]1CN(Cc2nccn2C)Cc2ccnn2C1
InChIInChI=1S/C15H23N5O/c1-3-21-12-13-8-19(11-15-16-6-7-18(15)2)10-14-4-5-17-20(14)9-13/h4-7,13H,3,8-12H2,1-2H3/t13-/m0/s1
InChIKeyMRNSQZJYVWCERX-ZDUSSCGKSA-N
XLogP1.29
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(7S)-5-[(1-methylimidazol-2-yl)methyl]-7-(prop-2-enoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97463430
(7R)-7-(ethoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97381865
7-(ethoxymethyl)-5-[(5-methylfuran-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131644437
(7R)-7-(ethoxymethyl)-5-[[(3S)-oxolan-3-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 124521580
2-[[(7S)-7-(cyclopropylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]-1,3-thiazole
CID 97463509
7-(ethoxymethyl)-5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131654910
(7R)-7-(methoxymethyl)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97463309
[(7S)-7-(ethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97463361
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
(7S)-5-[(5-methylthiophen-2-yl)methyl]-7-(prop-2-enoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97381879
1-[7-(ethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-thiophen-3-ylethanone
CID 118744986
(7S)-7-(methoxymethyl)-5-[(4-methoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97463317

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(ethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of (7S)-7-(ethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (CID 97463343) is (7S)-7-(ethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for (7S)-7-(ethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for (7S)-7-(ethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is CCOC[C@H]1CN(Cc2nccn2C)Cc2ccnn2C1.
What is the InChIKey of (7S)-7-(ethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The InChIKey is MRNSQZJYVWCERX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N5O/c1-3-21-12-13-8-19(11-15-16-6-7-18(15)2)10-14-4-5-17-20(14)9-13/h4-7,13H,3,8-12H2,1-2H3/t13-/m0/s1.
What are the key properties of (7S)-7-(ethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
(7S)-7-(ethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine has a molecular weight of 289.38 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(ethoxymethyl)-5-[(1-methylimidazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 97463343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).