1-(1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl)propan-1-one

C11H17N3O — CID 92585314

IUPAC1-(1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl)propan-1-one
SMILESCCC(=O)N1CCCc2c(cnn2C)C1
InChIInChI=1S/C11H17N3O/c1-3-11(15)14-6-4-5-10-9(8-14)7-12-13(10)2/h7H,3-6,8H2,1-2H3
InChIKeyFRGHAQZXBZAFNN-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.10
Rot. Bonds1

About 1-(1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl)propan-1-one

1-(1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl)propan-1-one (PubChem CID 92585314) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl)propan-1-one
PubChem CID92585314
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl)propan-1-one
SMILESCCC(=O)N1CCCc2c(cnn2C)C1
InChIInChI=1S/C11H17N3O/c1-3-11(15)14-6-4-5-10-9(8-14)7-12-13(10)2/h7H,3-6,8H2,1-2H3
InChIKeyFRGHAQZXBZAFNN-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl)propan-1-one?
The IUPAC name of 1-(1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl)propan-1-one (CID 92585314) is 1-(1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl)propan-1-one.
What is the SMILES notation for 1-(1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl)propan-1-one?
The canonical SMILES for 1-(1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl)propan-1-one is CCC(=O)N1CCCc2c(cnn2C)C1.
What is the InChIKey of 1-(1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl)propan-1-one?
The InChIKey is FRGHAQZXBZAFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-11(15)14-6-4-5-10-9(8-14)7-12-13(10)2/h7H,3-6,8H2,1-2H3.
What are the key properties of 1-(1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl)propan-1-one?
1-(1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl)propan-1-one has a molecular weight of 207.28 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-4,6,7,8-tetrahydropyrazolo[4,5-c]azepin-5-yl)propan-1-one is sourced from PubChem (CID 92585314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).