5-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one

C15H17N5O2 — CID 154567827

IUPAC5-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCc2[nH]nc(C3CC3)c2CC1
InChIInChI=1S/C15H17N5O2/c21-13-8-16-12(7-17-13)15(22)20-5-3-10-11(4-6-20)18-19-14(10)9-1-2-9/h7-9H,1-6H2,(H,17,21)(H,18,19)
InChIKeyBKXYVXTURJYTBS-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.61
Rot. Bonds2

About 5-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one

5-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one (PubChem CID 154567827) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one
PubChem CID154567827
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name5-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one
SMILESO=C(c1c[nH]c(=O)cn1)N1CCc2[nH]nc(C3CC3)c2CC1
InChIInChI=1S/C15H17N5O2/c21-13-8-16-12(7-17-13)15(22)20-5-3-10-11(4-6-20)18-19-14(10)9-1-2-9/h7-9H,1-6H2,(H,17,21)(H,18,19)
InChIKeyBKXYVXTURJYTBS-UHFFFAOYSA-N
XLogP0.61
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
CID 154571091
5-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)-6-propan-2-yl-1H-pyridin-2-one
CID 157013120
(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 146044555
(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-pyrazolo[1,5-a]pyridin-5-ylmethanone
CID 155503122
6-(3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl)-2-methylpyridazin-3-one
CID 31106795
5-(4-methylpiperazine-1-carbonyl)-1H-pyrazin-2-one
CID 110476630
5-(3-aminopyrrolidine-1-carbonyl)-1H-pyrazin-2-one
CID 62067809
2-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615807
5-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]-1H-pyrazin-2-one
CID 118771885
(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-(1,4-oxazepan-6-yl)methanone
CID 154566749
5-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 118779827
(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 146046520

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one?
The IUPAC name of 5-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one (CID 154567827) is 5-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one.
What is the SMILES notation for 5-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one?
The canonical SMILES for 5-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one is O=C(c1c[nH]c(=O)cn1)N1CCc2[nH]nc(C3CC3)c2CC1.
What is the InChIKey of 5-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one?
The InChIKey is BKXYVXTURJYTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c21-13-8-16-12(7-17-13)15(22)20-5-3-10-11(4-6-20)18-19-14(10)9-1-2-9/h7-9H,1-6H2,(H,17,21)(H,18,19).
What are the key properties of 5-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one?
5-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one has a molecular weight of 299.33 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carbonyl)-1H-pyrazin-2-one is sourced from PubChem (CID 154567827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).