3-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazol-1-ide

C14H17N2O- — CID 140648696

IUPAC3-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazol-1-ide
SMILESCc1cc(-c2ccc(OC(C)(C)C)cc2)[n-]n1
InChIInChI=1S/C14H17N2O/c1-10-9-13(16-15-10)11-5-7-12(8-6-11)17-14(2,3)4/h5-9H,1-4H3/q-1
InChIKeyVGODPSMYMVNLOI-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.19
Rot. Bonds2

About 3-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazol-1-ide

3-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazol-1-ide (PubChem CID 140648696) has the molecular formula C14H17N2O- and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazol-1-ide.

Molecular Properties

Compound Name3-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazol-1-ide
PubChem CID140648696
Molecular FormulaC14H17N2O-
Molecular Weight229.30 g/mol
Exact Mass229.13
IUPAC Name3-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazol-1-ide
SMILESCc1cc(-c2ccc(OC(C)(C)C)cc2)[n-]n1
InChIInChI=1S/C14H17N2O/c1-10-9-13(16-15-10)11-5-7-12(8-6-11)17-14(2,3)4/h5-9H,1-4H3/q-1
InChIKeyVGODPSMYMVNLOI-UHFFFAOYSA-N
XLogP3.19
TPSA36.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trichloro-[4-[(2-methylpropan-2-yl)oxy]phenyl]silane
CID 71403071
2-methyl-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-thiazol-5-amine
CID 82485697
2,4,6-tris[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrylium
CID 139768920
1-methyl-4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]benzene
CID 172807239
4-[(2-methylpropan-2-yl)oxy]phenol
CID 2773621
bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-pyridin-4-ylsulfanium
CID 23373964
1-[(2-methylpropan-2-yl)oxy]-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylbenzene
CID 126746102
bis(4-[(2-methylpropan-2-yl)oxy]phenol);zirconium
CID 158294548
tetrakis[4-[(2-methylpropan-2-yl)oxy]phenyl]boranuide
CID 140853647
[4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone
CID 141016400
N-(4-methylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 110437429
[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 82479873

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazol-1-ide?
The IUPAC name of 3-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazol-1-ide (CID 140648696) is 3-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazol-1-ide.
What is the SMILES notation for 3-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazol-1-ide?
The canonical SMILES for 3-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazol-1-ide is Cc1cc(-c2ccc(OC(C)(C)C)cc2)[n-]n1.
What is the InChIKey of 3-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazol-1-ide?
The InChIKey is VGODPSMYMVNLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N2O/c1-10-9-13(16-15-10)11-5-7-12(8-6-11)17-14(2,3)4/h5-9H,1-4H3/q-1.
What are the key properties of 3-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazol-1-ide?
3-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazol-1-ide has a molecular weight of 229.30 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]pyrazol-1-ide is sourced from PubChem (CID 140648696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).