4-methyl-6-propan-2-yl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one

C11H17N3O — CID 163665455

IUPAC4-methyl-6-propan-2-yl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
SMILESCC(C)C1CCn2nccc2N(C)C1=O
InChIInChI=1S/C11H17N3O/c1-8(2)9-5-7-14-10(4-6-12-14)13(3)11(9)15/h4,6,8-9H,5,7H2,1-3H3
InChIKeyIYARRPINMRYSAF-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.52
Rot. Bonds1

About 4-methyl-6-propan-2-yl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one

4-methyl-6-propan-2-yl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one (PubChem CID 163665455) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-methyl-6-propan-2-yl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one.

Molecular Properties

Compound Name4-methyl-6-propan-2-yl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
PubChem CID163665455
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-methyl-6-propan-2-yl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
SMILESCC(C)C1CCn2nccc2N(C)C1=O
InChIInChI=1S/C11H17N3O/c1-8(2)9-5-7-14-10(4-6-12-14)13(3)11(9)15/h4,6,8-9H,5,7H2,1-3H3
InChIKeyIYARRPINMRYSAF-UHFFFAOYSA-N
XLogP1.52
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-Butyl-N-(1-methylpyrazol-3-yl) cyclohexane carboxamide
CID 20394335
N-Butyl-2-methyl-N-(1-methyl-1H-pyrazol-3-yl)propanamide
CID 20394344
N-Butyl-N-(1-methyl-1H-pyrazol-3-yl)cyclopentanecarboxamide
CID 20394348
N-Butyl-N-(1-methyl-1H-pyrazol-3-yl)cyclobutanecarboxamide
CID 20394357
N-Hexyl-2-methyl-N-(1-methyl-1H-pyrazol-3-yl)propanamide
CID 20394358
N-Methyl-N-(1-methyl-1H-pyrazol-3-yl)cyclohexanecarboxamide
CID 20394362
N-(1-Butyl-1H-pyrazol-3-yl)-N-methylcyclopropanecarboxamide
CID 20394368
N-(1-Butyl-1H-pyrazol-3-yl)-N-hexylcyclopropanecarboxamide
CID 20394387
N-(1-methylpyrazol-3-yl)-N-pentylpropanamide
CID 67801413
3-Methyl-1-(1-methyl-1h-pyrazol-3-yl)-2-pyrrolidinone
CID 118061154
(3R)-3-methyl-1-(1-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 118061232
6-bromo-4-methyl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one
CID 124178655

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propan-2-yl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one?
The IUPAC name of 4-methyl-6-propan-2-yl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one (CID 163665455) is 4-methyl-6-propan-2-yl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one.
What is the SMILES notation for 4-methyl-6-propan-2-yl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one?
The canonical SMILES for 4-methyl-6-propan-2-yl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one is CC(C)C1CCn2nccc2N(C)C1=O.
What is the InChIKey of 4-methyl-6-propan-2-yl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one?
The InChIKey is IYARRPINMRYSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)9-5-7-14-10(4-6-12-14)13(3)11(9)15/h4,6,8-9H,5,7H2,1-3H3.
What are the key properties of 4-methyl-6-propan-2-yl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one?
4-methyl-6-propan-2-yl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one has a molecular weight of 207.28 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propan-2-yl-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-5-one is sourced from PubChem (CID 163665455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).