(3S)-3-ethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-1,4-diazepan-2-one

C14H17N5O2 — CID 138024647

IUPAC(3S)-3-ethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-1,4-diazepan-2-one
SMILESCC[C@H]1C(=O)NCCCN1C(=O)c1cnn2ccncc12
InChIInChI=1S/C14H17N5O2/c1-2-11-13(20)16-4-3-6-18(11)14(21)10-8-17-19-7-5-15-9-12(10)19/h5,7-9,11H,2-4,6H2,1H3,(H,16,20)/t11-/m0/s1
InChIKeyJFAJEWDRUWTOBR-NSHDSACASA-N
MW287.32 g/mol
LogP0.47
Rot. Bonds2

About (3S)-3-ethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-1,4-diazepan-2-one

(3S)-3-ethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-1,4-diazepan-2-one (PubChem CID 138024647) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is (3S)-3-ethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name(3S)-3-ethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-1,4-diazepan-2-one
PubChem CID138024647
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name(3S)-3-ethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-1,4-diazepan-2-one
SMILESCC[C@H]1C(=O)NCCCN1C(=O)c1cnn2ccncc12
InChIInChI=1S/C14H17N5O2/c1-2-11-13(20)16-4-3-6-18(11)14(21)10-8-17-19-7-5-15-9-12(10)19/h5,7-9,11H,2-4,6H2,1H3,(H,16,20)/t11-/m0/s1
InChIKeyJFAJEWDRUWTOBR-NSHDSACASA-N
XLogP0.47
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-3-ethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-1,4-diazepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(bromomethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103122459
1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone
CID 103115712
(2,5-diethylpiperazin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120832
[2-(2-hydroxypropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120401
pyrazolo[1,5-a]pyrazin-3-yl(pyrrolidin-1-yl)methanone
CID 103120002
[2-(2-bromoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103122477
N'-hydroxy-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-2-carboximidamide
CID 103121544
(3S)-3-ethyl-4-[5-(methoxymethyl)pyridine-3-carbonyl]-1,4-diazepan-2-one
CID 138024641
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
(3R)-3-ethyl-4-(4-imidazol-1-ylbutanoyl)-1,4-diazepan-2-one
CID 136586989
(3R)-3-ethyl-4-(2-pyrazol-1-ylpyridine-4-carbonyl)-1,4-diazepan-2-one
CID 136586988
(3-hydroxy-4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120388

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-1,4-diazepan-2-one?
The IUPAC name of (3S)-3-ethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-1,4-diazepan-2-one (CID 138024647) is (3S)-3-ethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-1,4-diazepan-2-one.
What is the SMILES notation for (3S)-3-ethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-1,4-diazepan-2-one?
The canonical SMILES for (3S)-3-ethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-1,4-diazepan-2-one is CC[C@H]1C(=O)NCCCN1C(=O)c1cnn2ccncc12.
What is the InChIKey of (3S)-3-ethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-1,4-diazepan-2-one?
The InChIKey is JFAJEWDRUWTOBR-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N5O2/c1-2-11-13(20)16-4-3-6-18(11)14(21)10-8-17-19-7-5-15-9-12(10)19/h5,7-9,11H,2-4,6H2,1H3,(H,16,20)/t11-/m0/s1.
What are the key properties of (3S)-3-ethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-1,4-diazepan-2-one?
(3S)-3-ethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-1,4-diazepan-2-one has a molecular weight of 287.32 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-1,4-diazepan-2-one is sourced from PubChem (CID 138024647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).