1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-1,4-diazepan-5-one

C16H25N5O2 — CID 56718033

IUPAC1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-1,4-diazepan-5-one
SMILESCC(C)N1CCCn2nc(C(=O)N3CCNC(=O)CC3)cc2C1
InChIInChI=1S/C16H25N5O2/c1-12(2)20-6-3-7-21-13(11-20)10-14(18-21)16(23)19-8-4-15(22)17-5-9-19/h10,12H,3-9,11H2,1-2H3,(H,17,22)
InChIKeyYVBBJCXNWVDCAY-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.46
Rot. Bonds2

About 1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-1,4-diazepan-5-one

1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-1,4-diazepan-5-one (PubChem CID 56718033) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-1,4-diazepan-5-one
PubChem CID56718033
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-1,4-diazepan-5-one
SMILESCC(C)N1CCCn2nc(C(=O)N3CCNC(=O)CC3)cc2C1
InChIInChI=1S/C16H25N5O2/c1-12(2)20-6-3-7-21-13(11-20)10-14(18-21)16(23)19-8-4-15(22)17-5-9-19/h10,12H,3-9,11H2,1-2H3,(H,17,22)
InChIKeyYVBBJCXNWVDCAY-UHFFFAOYSA-N
XLogP0.46
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)ethenamine
CID 171640849
N-hydroxy-N-methyl-5-propan-2-yl-7-[1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)pyrrolidin-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 169145943
(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone
CID 50983759
[5-[(2R)-1-(2-ethylimidazol-1-yl)propan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-pyrrolidin-1-ylmethanone
CID 95131101
1-(1,2,5-thiadiazole-3-carbonyl)-1,4-diazepan-5-one
CID 62046931
[5-(3-methylbut-2-enyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-pyrrolidin-1-ylmethanone
CID 50962354
1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one
CID 62046605
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 95122494
1-(2,4-dichlorobenzoyl)-1,4-diazepan-5-one
CID 55027869
1-(2-methylpyrazole-3-carbonyl)-1,4-diazepan-5-one
CID 62317121
5-propan-2-yl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 169145464
[5-(4-aminopyridine-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-pyrrolidin-1-ylmethanone
CID 50951583

Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-1,4-diazepan-5-one?
The IUPAC name of 1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-1,4-diazepan-5-one (CID 56718033) is 1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-1,4-diazepan-5-one is CC(C)N1CCCn2nc(C(=O)N3CCNC(=O)CC3)cc2C1.
What is the InChIKey of 1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-1,4-diazepan-5-one?
The InChIKey is YVBBJCXNWVDCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-12(2)20-6-3-7-21-13(11-20)10-14(18-21)16(23)19-8-4-15(22)17-5-9-19/h10,12H,3-9,11H2,1-2H3,(H,17,22).
What are the key properties of 1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-1,4-diazepan-5-one?
1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-1,4-diazepan-5-one has a molecular weight of 319.41 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-1,4-diazepan-5-one is sourced from PubChem (CID 56718033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).