[3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-(1,2,4-oxadiazol-3-yl)phenyl]methanol

C21H20N4O2 — CID 68510366

IUPAC[3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-(1,2,4-oxadiazol-3-yl)phenyl]methanol
SMILESCc1ccc(Cn2nc(-c3cc(CO)ccc3-c3ncon3)cc2C)cc1
InChIInChI=1S/C21H20N4O2/c1-14-3-5-16(6-4-14)11-25-15(2)9-20(23-25)19-10-17(12-26)7-8-18(19)21-22-13-27-24-21/h3-10,13,26H,11-12H2,1-2H3
InChIKeyNMCMTTCKRNUWTQ-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.76
Rot. Bonds5

About [3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-(1,2,4-oxadiazol-3-yl)phenyl]methanol

[3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-(1,2,4-oxadiazol-3-yl)phenyl]methanol (PubChem CID 68510366) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is [3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-(1,2,4-oxadiazol-3-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-(1,2,4-oxadiazol-3-yl)phenyl]methanol
PubChem CID68510366
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name[3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-(1,2,4-oxadiazol-3-yl)phenyl]methanol
SMILESCc1ccc(Cn2nc(-c3cc(CO)ccc3-c3ncon3)cc2C)cc1
InChIInChI=1S/C21H20N4O2/c1-14-3-5-16(6-4-14)11-25-15(2)9-20(23-25)19-10-17(12-26)7-8-18(19)21-22-13-27-24-21/h3-10,13,26H,11-12H2,1-2H3
InChIKeyNMCMTTCKRNUWTQ-UHFFFAOYSA-N
XLogP3.76
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-(1,2,4-oxadiazol-3-yl)phenyl]methanol?
The IUPAC name of [3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-(1,2,4-oxadiazol-3-yl)phenyl]methanol (CID 68510366) is [3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-(1,2,4-oxadiazol-3-yl)phenyl]methanol.
What is the SMILES notation for [3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-(1,2,4-oxadiazol-3-yl)phenyl]methanol?
The canonical SMILES for [3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-(1,2,4-oxadiazol-3-yl)phenyl]methanol is Cc1ccc(Cn2nc(-c3cc(CO)ccc3-c3ncon3)cc2C)cc1.
What is the InChIKey of [3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-(1,2,4-oxadiazol-3-yl)phenyl]methanol?
The InChIKey is NMCMTTCKRNUWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-3-5-16(6-4-14)11-25-15(2)9-20(23-25)19-10-17(12-26)7-8-18(19)21-22-13-27-24-21/h3-10,13,26H,11-12H2,1-2H3.
What are the key properties of [3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-(1,2,4-oxadiazol-3-yl)phenyl]methanol?
[3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-(1,2,4-oxadiazol-3-yl)phenyl]methanol has a molecular weight of 360.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-(1,2,4-oxadiazol-3-yl)phenyl]methanol is sourced from PubChem (CID 68510366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).