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

C17H25N5O2 — CID 91797510

IUPACcyclobutyl-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
SMILESCC(C)c1nc(N2CCCn3nc(C(O)C4CCC4)cc3C2)no1
InChIInChI=1S/C17H25N5O2/c1-11(2)16-18-17(20-24-16)21-7-4-8-22-13(10-21)9-14(19-22)15(23)12-5-3-6-12/h9,11-12,15,23H,3-8,10H2,1-2H3
InChIKeyNLTFNHHQQYMCPT-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.63
Rot. Bonds4

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

cyclobutyl-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol (PubChem CID 91797510) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is cyclobutyl-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol.

Molecular Properties

Compound Namecyclobutyl-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
PubChem CID91797510
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Namecyclobutyl-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
SMILESCC(C)c1nc(N2CCCn3nc(C(O)C4CCC4)cc3C2)no1
InChIInChI=1S/C17H25N5O2/c1-11(2)16-18-17(20-24-16)21-7-4-8-22-13(10-21)9-14(19-22)15(23)12-5-3-6-12/h9,11-12,15,23H,3-8,10H2,1-2H3
InChIKeyNLTFNHHQQYMCPT-UHFFFAOYSA-N
XLogP2.63
TPSA80.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

cyclobutyl{5-[(3-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 91765568
cyclobutyl[5-(1H-imidazol-1-ylacetyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
CID 90652924
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
{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-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}propan-1-ol
CID 91767607
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-(4-cyclobutyl-6-methylpyrimidin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol
CID 91770463
cyclopropyl[5-(2-ethyl-6-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
CID 91772489
{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
cyclobutyl{5-[4-methyl-6-(methylamino)pyrimidin-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methanol
CID 91774579
cyclopropyl{5-[3-(1H-tetrazol-1-yl)propanoyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methanol
CID 91776124
cyclopropyl{5-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methanol
CID 91783172

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
The IUPAC name of cyclobutyl-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol (CID 91797510) is cyclobutyl-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol.
What is the SMILES notation for cyclobutyl-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
The canonical SMILES for cyclobutyl-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol is CC(C)c1nc(N2CCCn3nc(C(O)C4CCC4)cc3C2)no1.
What is the InChIKey of cyclobutyl-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
The InChIKey is NLTFNHHQQYMCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-11(2)16-18-17(20-24-16)21-7-4-8-22-13(10-21)9-14(19-22)15(23)12-5-3-6-12/h9,11-12,15,23H,3-8,10H2,1-2H3.
What are the key properties of cyclobutyl-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
cyclobutyl-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol has a molecular weight of 331.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol is sourced from PubChem (CID 91797510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).