cyclobutyl-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol

C16H23N5O2 — CID 91765568

IUPACcyclobutyl-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
SMILESCc1noc(CN2CCCn3nc(C(O)C4CCC4)cc3C2)n1
InChIInChI=1S/C16H23N5O2/c1-11-17-15(23-19-11)10-20-6-3-7-21-13(9-20)8-14(18-21)16(22)12-4-2-5-12/h8,12,16,22H,2-7,9-10H2,1H3
InChIKeyQWUYZHGUVOLPMH-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.81
Rot. Bonds4

About cyclobutyl-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol

cyclobutyl-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol (PubChem CID 91765568) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is cyclobutyl-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol.

Molecular Properties

Compound Namecyclobutyl-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
PubChem CID91765568
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Namecyclobutyl-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
SMILESCc1noc(CN2CCCn3nc(C(O)C4CCC4)cc3C2)n1
InChIInChI=1S/C16H23N5O2/c1-11-17-15(23-19-11)10-20-6-3-7-21-13(9-20)8-14(18-21)16(22)12-4-2-5-12/h8,12,16,22H,2-7,9-10H2,1H3
InChIKeyQWUYZHGUVOLPMH-UHFFFAOYSA-N
XLogP1.81
TPSA80.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze cyclobutyl-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol with MolForge

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Related Compounds

(5-{[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methanol
CID 91792646
cyclobutyl[5-(5-isopropyl-1,2,4-oxadiazol-3-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
CID 91797510
cyclobutyl[5-(1H-imidazol-1-ylacetyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
CID 90652924
1-[5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylcarbonyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol
CID 91760610
2-(dimethylamino)-1-(5-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)ethanol
CID 91764387
2-[2-[cyclobutyl(hydroxy)methyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-N-(5-methylisoxazol-3-yl)acetamide
CID 91765747
{5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}(1-methyl-1H-pyrazol-5-yl)methanol
CID 91767539
1-(5-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)ethanol
CID 91768677
1-(5-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)ethane-1,2-diol
CID 91769019
(5-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methanol
CID 91771544
(1-methyl-1H-pyrazol-5-yl)[5-({3-[(methylthio)methyl]-1,2,4-oxadiazol-5-yl}methyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
CID 91773026
{5-[3-(3-chloro-1H-1,2,4-triazol-5-yl)propanoyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}(cyclobutyl)methanol
CID 91773864

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
The IUPAC name of cyclobutyl-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol (CID 91765568) is cyclobutyl-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol.
What is the SMILES notation for cyclobutyl-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
The canonical SMILES for cyclobutyl-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol is Cc1noc(CN2CCCn3nc(C(O)C4CCC4)cc3C2)n1.
What is the InChIKey of cyclobutyl-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
The InChIKey is QWUYZHGUVOLPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11-17-15(23-19-11)10-20-6-3-7-21-13(9-20)8-14(18-21)16(22)12-4-2-5-12/h8,12,16,22H,2-7,9-10H2,1H3.
What are the key properties of cyclobutyl-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
cyclobutyl-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol has a molecular weight of 317.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol is sourced from PubChem (CID 91765568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).