1,2-dimethyl-5-(5-methylfuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-one

C15H19N3O3 — CID 97392157

IUPAC1,2-dimethyl-5-(5-methylfuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-one
SMILESCc1ccc(C(=O)N2CCCc3c(c(=O)n(C)n3C)C2)o1
InChIInChI=1S/C15H19N3O3/c1-10-6-7-13(21-10)15(20)18-8-4-5-12-11(9-18)14(19)17(3)16(12)2/h6-7H,4-5,8-9H2,1-3H3
InChIKeyMVDKXAJYEJCJNP-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.21
Rot. Bonds1

About 1,2-dimethyl-5-(5-methylfuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-one

1,2-dimethyl-5-(5-methylfuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-one (PubChem CID 97392157) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1,2-dimethyl-5-(5-methylfuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-one.

Molecular Properties

Compound Name1,2-dimethyl-5-(5-methylfuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-one
PubChem CID97392157
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1,2-dimethyl-5-(5-methylfuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-one
SMILESCc1ccc(C(=O)N2CCCc3c(c(=O)n(C)n3C)C2)o1
InChIInChI=1S/C15H19N3O3/c1-10-6-7-13(21-10)15(20)18-8-4-5-12-11(9-18)14(19)17(3)16(12)2/h6-7H,4-5,8-9H2,1-3H3
InChIKeyMVDKXAJYEJCJNP-UHFFFAOYSA-N
XLogP1.21
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,2-dimethyl-5-(5-methylfuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-one with MolForge

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Related Compounds

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[4-(2-chloroethyl)-1,4-diazepan-1-yl]-(5-methylfuran-2-yl)methanone
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CID 108732245
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1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
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CID 80661568
[4-(2-aminoethyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone
CID 43251608
(5-methylfuran-2-yl)-[6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 59640618
[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-(5-methylfuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-one?
The IUPAC name of 1,2-dimethyl-5-(5-methylfuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-one (CID 97392157) is 1,2-dimethyl-5-(5-methylfuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-one.
What is the SMILES notation for 1,2-dimethyl-5-(5-methylfuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-one?
The canonical SMILES for 1,2-dimethyl-5-(5-methylfuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-one is Cc1ccc(C(=O)N2CCCc3c(c(=O)n(C)n3C)C2)o1.
What is the InChIKey of 1,2-dimethyl-5-(5-methylfuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-one?
The InChIKey is MVDKXAJYEJCJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-6-7-13(21-10)15(20)18-8-4-5-12-11(9-18)14(19)17(3)16(12)2/h6-7H,4-5,8-9H2,1-3H3.
What are the key properties of 1,2-dimethyl-5-(5-methylfuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-one?
1,2-dimethyl-5-(5-methylfuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-one has a molecular weight of 289.33 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-(5-methylfuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[4,3-c]azepin-3-one is sourced from PubChem (CID 97392157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).