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

C20H25N5O2 — CID 124679949

IUPAC(R)-phenyl-[5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
SMILESCC(C)c1noc(CN2CCCn3nc([C@H](O)c4ccccc4)cc3C2)n1
InChIInChI=1S/C20H25N5O2/c1-14(2)20-21-18(27-23-20)13-24-9-6-10-25-16(12-24)11-17(22-25)19(26)15-7-4-3-5-8-15/h3-5,7-8,11,14,19,26H,6,9-10,12-13H2,1-2H3/t19-/m1/s1
InChIKeyXCZVMPXYXZFHMT-LJQANCHMSA-N
MW367.45 g/mol
LogP2.88
Rot. Bonds5

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

(R)-phenyl-[5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol (PubChem CID 124679949) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (R)-phenyl-[5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol.

Molecular Properties

Compound Name(R)-phenyl-[5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
PubChem CID124679949
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(R)-phenyl-[5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
SMILESCC(C)c1noc(CN2CCCn3nc([C@H](O)c4ccccc4)cc3C2)n1
InChIInChI=1S/C20H25N5O2/c1-14(2)20-21-18(27-23-20)13-24-9-6-10-25-16(12-24)11-17(22-25)19(26)15-7-4-3-5-8-15/h3-5,7-8,11,14,19,26H,6,9-10,12-13H2,1-2H3/t19-/m1/s1
InChIKeyXCZVMPXYXZFHMT-LJQANCHMSA-N
XLogP2.88
TPSA80.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (R)-phenyl-[5-[(3-propan-2-yl-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

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
(R)-phenyl-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]methanol
CID 164634674
(R)-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-yl]-phenylmethanol
CID 164635151
2-[(1,5-dimethylpyrazol-3-yl)methyl]-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-3,7b-dihydro-1aH-oxireno[2,3-c]isoquinoline
CID 134549783
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
1-[3-[[5-Methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrazol-1-yl]methyl]phenyl]propan-2-ol
CID 144277236
3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(2-hydroxy-2-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 5297985
(4-{5-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl}phenyl)methanol
CID 28395557
(3-{5-[(3,4,5-trimethyl-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl}phenyl)methanol
CID 29184127
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 42556628
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 42556629
2-[1-[(3-Benzyl-1,2,4-oxadiazol-5-yl)methyl]-3,5-dimethylpyrazol-4-yl]ethanol
CID 75522126

Frequently Asked Questions

What is the IUPAC name of (R)-phenyl-[5-[(3-propan-2-yl-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 (R)-phenyl-[5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol (CID 124679949) is (R)-phenyl-[5-[(3-propan-2-yl-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 (R)-phenyl-[5-[(3-propan-2-yl-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 (R)-phenyl-[5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol is CC(C)c1noc(CN2CCCn3nc([C@H](O)c4ccccc4)cc3C2)n1.
What is the InChIKey of (R)-phenyl-[5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
The InChIKey is XCZVMPXYXZFHMT-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-14(2)20-21-18(27-23-20)13-24-9-6-10-25-16(12-24)11-17(22-25)19(26)15-7-4-3-5-8-15/h3-5,7-8,11,14,19,26H,6,9-10,12-13H2,1-2H3/t19-/m1/s1.
What are the key properties of (R)-phenyl-[5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol?
(R)-phenyl-[5-[(3-propan-2-yl-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 367.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-phenyl-[5-[(3-propan-2-yl-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 124679949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).