1-methyl-3-propylspiro[7,8-dihydro-4H-pyrazolo[4,5-b][1,4]diazepine-6,1'-cyclopropane]-5-one

C12H18N4O — CID 137002799

IUPAC1-methyl-3-propylspiro[7,8-dihydro-4H-pyrazolo[4,5-b][1,4]diazepine-6,1'-cyclopropane]-5-one
SMILESCCCc1nn(C)c2c1NC(=O)C1(CC1)CN2
InChIInChI=1S/C12H18N4O/c1-3-4-8-9-10(16(2)15-8)13-7-12(5-6-12)11(17)14-9/h13H,3-7H2,1-2H3,(H,14,17)
InChIKeyREQFORPVELMMII-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.52
Rot. Bonds2

About 1-methyl-3-propylspiro[7,8-dihydro-4H-pyrazolo[4,5-b][1,4]diazepine-6,1'-cyclopropane]-5-one

1-methyl-3-propylspiro[7,8-dihydro-4H-pyrazolo[4,5-b][1,4]diazepine-6,1'-cyclopropane]-5-one (PubChem CID 137002799) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-methyl-3-propylspiro[7,8-dihydro-4H-pyrazolo[4,5-b][1,4]diazepine-6,1'-cyclopropane]-5-one.

Molecular Properties

Compound Name1-methyl-3-propylspiro[7,8-dihydro-4H-pyrazolo[4,5-b][1,4]diazepine-6,1'-cyclopropane]-5-one
PubChem CID137002799
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-methyl-3-propylspiro[7,8-dihydro-4H-pyrazolo[4,5-b][1,4]diazepine-6,1'-cyclopropane]-5-one
SMILESCCCc1nn(C)c2c1NC(=O)C1(CC1)CN2
InChIInChI=1S/C12H18N4O/c1-3-4-8-9-10(16(2)15-8)13-7-12(5-6-12)11(17)14-9/h13H,3-7H2,1-2H3,(H,14,17)
InChIKeyREQFORPVELMMII-UHFFFAOYSA-N
XLogP1.52
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propylspiro[7,8-dihydro-4H-pyrazolo[4,5-b][1,4]diazepine-6,1'-cyclopropane]-5-one?
The IUPAC name of 1-methyl-3-propylspiro[7,8-dihydro-4H-pyrazolo[4,5-b][1,4]diazepine-6,1'-cyclopropane]-5-one (CID 137002799) is 1-methyl-3-propylspiro[7,8-dihydro-4H-pyrazolo[4,5-b][1,4]diazepine-6,1'-cyclopropane]-5-one.
What is the SMILES notation for 1-methyl-3-propylspiro[7,8-dihydro-4H-pyrazolo[4,5-b][1,4]diazepine-6,1'-cyclopropane]-5-one?
The canonical SMILES for 1-methyl-3-propylspiro[7,8-dihydro-4H-pyrazolo[4,5-b][1,4]diazepine-6,1'-cyclopropane]-5-one is CCCc1nn(C)c2c1NC(=O)C1(CC1)CN2.
What is the InChIKey of 1-methyl-3-propylspiro[7,8-dihydro-4H-pyrazolo[4,5-b][1,4]diazepine-6,1'-cyclopropane]-5-one?
The InChIKey is REQFORPVELMMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-4-8-9-10(16(2)15-8)13-7-12(5-6-12)11(17)14-9/h13H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 1-methyl-3-propylspiro[7,8-dihydro-4H-pyrazolo[4,5-b][1,4]diazepine-6,1'-cyclopropane]-5-one?
1-methyl-3-propylspiro[7,8-dihydro-4H-pyrazolo[4,5-b][1,4]diazepine-6,1'-cyclopropane]-5-one has a molecular weight of 234.30 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propylspiro[7,8-dihydro-4H-pyrazolo[4,5-b][1,4]diazepine-6,1'-cyclopropane]-5-one is sourced from PubChem (CID 137002799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).