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

C11H17N3O — CID 170725904

IUPAC2-methyl-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
SMILESCc1cc2n(n1)CC(=O)N(C(C)C)CC2
InChIInChI=1S/C11H17N3O/c1-8(2)13-5-4-10-6-9(3)12-14(10)7-11(13)15/h6,8H,4-5,7H2,1-3H3
InChIKeyFATKCVSBVAERKQ-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.98
Rot. Bonds1

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

2-methyl-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one (PubChem CID 170725904) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
PubChem CID170725904
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-methyl-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
SMILESCc1cc2n(n1)CC(=O)N(C(C)C)CC2
InChIInChI=1S/C11H17N3O/c1-8(2)13-5-4-10-6-9(3)12-14(10)7-11(13)15/h6,8H,4-5,7H2,1-3H3
InChIKeyFATKCVSBVAERKQ-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The IUPAC name of 2-methyl-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one (CID 170725904) is 2-methyl-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one.
What is the SMILES notation for 2-methyl-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The canonical SMILES for 2-methyl-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one is Cc1cc2n(n1)CC(=O)N(C(C)C)CC2.
What is the InChIKey of 2-methyl-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The InChIKey is FATKCVSBVAERKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(2)13-5-4-10-6-9(3)12-14(10)7-11(13)15/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 2-methyl-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
2-methyl-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one has a molecular weight of 207.28 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one is sourced from PubChem (CID 170725904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).