2-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2-dihydropyridin-6-ol

C15H22N4O — CID 177033515

IUPAC2-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2-dihydropyridin-6-ol
SMILESCC(C)N1CCCn2nc(C3C=CC=C(O)N3)cc2C1
InChIInChI=1S/C15H22N4O/c1-11(2)18-7-4-8-19-12(10-18)9-14(17-19)13-5-3-6-15(20)16-13/h3,5-6,9,11,13,16,20H,4,7-8,10H2,1-2H3
InChIKeyXZBCGMBIIACIIG-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.10
Rot. Bonds2

About 2-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2-dihydropyridin-6-ol

2-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2-dihydropyridin-6-ol (PubChem CID 177033515) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2-dihydropyridin-6-ol.

Molecular Properties

Compound Name2-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2-dihydropyridin-6-ol
PubChem CID177033515
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2-dihydropyridin-6-ol
SMILESCC(C)N1CCCn2nc(C3C=CC=C(O)N3)cc2C1
InChIInChI=1S/C15H22N4O/c1-11(2)18-7-4-8-19-12(10-18)9-14(17-19)13-5-3-6-15(20)16-13/h3,5-6,9,11,13,16,20H,4,7-8,10H2,1-2H3
InChIKeyXZBCGMBIIACIIG-UHFFFAOYSA-N
XLogP2.10
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
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
5-propan-2-yl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 169145464
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
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
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
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50959976
1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone
CID 115092508
3-chloro-2-(2,5-dimethyl-1,5-dihydro-1,2,4-triazol-3-yl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 176703892
N,N-dimethyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide;1-ethyl-5-[[ethyl(propan-2-yl)amino]methyl]-N-propan-2-ylpyrazole-3-carboxamide
CID 177033572
1-(3-chloro-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-N,N-dimethylmethanamine;ethane
CID 169145503
5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid
CID 115092280

Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2-dihydropyridin-6-ol?
The IUPAC name of 2-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2-dihydropyridin-6-ol (CID 177033515) is 2-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2-dihydropyridin-6-ol.
What is the SMILES notation for 2-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2-dihydropyridin-6-ol?
The canonical SMILES for 2-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2-dihydropyridin-6-ol is CC(C)N1CCCn2nc(C3C=CC=C(O)N3)cc2C1.
What is the InChIKey of 2-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2-dihydropyridin-6-ol?
The InChIKey is XZBCGMBIIACIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)18-7-4-8-19-12(10-18)9-14(17-19)13-5-3-6-15(20)16-13/h3,5-6,9,11,13,16,20H,4,7-8,10H2,1-2H3.
What are the key properties of 2-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2-dihydropyridin-6-ol?
2-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2-dihydropyridin-6-ol has a molecular weight of 274.37 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2-dihydropyridin-6-ol is sourced from PubChem (CID 177033515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).