8-[(1-methylpyrazol-4-yl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

C16H25N5O — CID 97381698

IUPAC8-[(1-methylpyrazol-4-yl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESCC(C)OCc1ncn2c1CN(Cc1cnn(C)c1)CCC2
InChIInChI=1S/C16H25N5O/c1-13(2)22-11-15-16-10-20(5-4-6-21(16)12-17-15)9-14-7-18-19(3)8-14/h7-8,12-13H,4-6,9-11H2,1-3H3
InChIKeyWUMOHQPPHHLPBD-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.95
Rot. Bonds5

About 8-[(1-methylpyrazol-4-yl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

8-[(1-methylpyrazol-4-yl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (PubChem CID 97381698) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 8-[(1-methylpyrazol-4-yl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name8-[(1-methylpyrazol-4-yl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
PubChem CID97381698
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name8-[(1-methylpyrazol-4-yl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESCC(C)OCc1ncn2c1CN(Cc1cnn(C)c1)CCC2
InChIInChI=1S/C16H25N5O/c1-13(2)22-11-15-16-10-20(5-4-6-21(16)12-17-15)9-14-7-18-19(3)8-14/h7-8,12-13H,4-6,9-11H2,1-3H3
InChIKeyWUMOHQPPHHLPBD-UHFFFAOYSA-N
XLogP1.95
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-methylpyrazol-4-yl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The IUPAC name of 8-[(1-methylpyrazol-4-yl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (CID 97381698) is 8-[(1-methylpyrazol-4-yl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.
What is the SMILES notation for 8-[(1-methylpyrazol-4-yl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The canonical SMILES for 8-[(1-methylpyrazol-4-yl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is CC(C)OCc1ncn2c1CN(Cc1cnn(C)c1)CCC2.
What is the InChIKey of 8-[(1-methylpyrazol-4-yl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The InChIKey is WUMOHQPPHHLPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-13(2)22-11-15-16-10-20(5-4-6-21(16)12-17-15)9-14-7-18-19(3)8-14/h7-8,12-13H,4-6,9-11H2,1-3H3.
What are the key properties of 8-[(1-methylpyrazol-4-yl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
8-[(1-methylpyrazol-4-yl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine has a molecular weight of 303.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-methylpyrazol-4-yl)methyl]-1-(propan-2-yloxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is sourced from PubChem (CID 97381698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).