3,4,5-trimethyl-2-(1H-pyrazol-4-ylmethyl)-1,2-oxazol-2-ium

C10H14N3O+ — CID 147046205

IUPAC3,4,5-trimethyl-2-(1H-pyrazol-4-ylmethyl)-1,2-oxazol-2-ium
SMILESCc1o[n+](Cc2cn[nH]c2)c(C)c1C
InChIInChI=1S/C10H14N3O/c1-7-8(2)13(14-9(7)3)6-10-4-11-12-5-10/h4-5H,6H2,1-3H3,(H,11,12)/q+1
InChIKeyFBBIRACJWDUVIH-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.26
Rot. Bonds2

About 3,4,5-trimethyl-2-(1H-pyrazol-4-ylmethyl)-1,2-oxazol-2-ium

3,4,5-trimethyl-2-(1H-pyrazol-4-ylmethyl)-1,2-oxazol-2-ium (PubChem CID 147046205) has the molecular formula C10H14N3O+ and a molecular weight of 192.24 g/mol. Its IUPAC name is 3,4,5-trimethyl-2-(1H-pyrazol-4-ylmethyl)-1,2-oxazol-2-ium.

Molecular Properties

Compound Name3,4,5-trimethyl-2-(1H-pyrazol-4-ylmethyl)-1,2-oxazol-2-ium
PubChem CID147046205
Molecular FormulaC10H14N3O+
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name3,4,5-trimethyl-2-(1H-pyrazol-4-ylmethyl)-1,2-oxazol-2-ium
SMILESCc1o[n+](Cc2cn[nH]c2)c(C)c1C
InChIInChI=1S/C10H14N3O/c1-7-8(2)13(14-9(7)3)6-10-4-11-12-5-10/h4-5H,6H2,1-3H3,(H,11,12)/q+1
InChIKeyFBBIRACJWDUVIH-UHFFFAOYSA-N
XLogP1.26
TPSA45.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazol-4-amine
CID 57422292
3,5-Dimethyl-4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 53627306
3,5-Dimethyl-4-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2-oxazole
CID 53627331
1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazole-4-carbonyl azide
CID 57422425
N,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 32354412
3,5-Dimethyl-4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2-oxazole
CID 56780734
1-(3,5-dimethylisoxazol-4-yl)-N-[(1-ethyl-1H-pyrazol-3-yl)methyl]-N-methylmethanamine
CID 91836637
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(4-methylpyrazol-1-yl)propanamide
CID 132304596
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine
CID 132324063
3-Ethyl-5-methyl-4-[(3-methylpyrazol-1-yl)methyl]-1,2-oxazole
CID 75496352
1-tert-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 47916331
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87020404

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-2-(1H-pyrazol-4-ylmethyl)-1,2-oxazol-2-ium?
The IUPAC name of 3,4,5-trimethyl-2-(1H-pyrazol-4-ylmethyl)-1,2-oxazol-2-ium (CID 147046205) is 3,4,5-trimethyl-2-(1H-pyrazol-4-ylmethyl)-1,2-oxazol-2-ium.
What is the SMILES notation for 3,4,5-trimethyl-2-(1H-pyrazol-4-ylmethyl)-1,2-oxazol-2-ium?
The canonical SMILES for 3,4,5-trimethyl-2-(1H-pyrazol-4-ylmethyl)-1,2-oxazol-2-ium is Cc1o[n+](Cc2cn[nH]c2)c(C)c1C.
What is the InChIKey of 3,4,5-trimethyl-2-(1H-pyrazol-4-ylmethyl)-1,2-oxazol-2-ium?
The InChIKey is FBBIRACJWDUVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N3O/c1-7-8(2)13(14-9(7)3)6-10-4-11-12-5-10/h4-5H,6H2,1-3H3,(H,11,12)/q+1.
What are the key properties of 3,4,5-trimethyl-2-(1H-pyrazol-4-ylmethyl)-1,2-oxazol-2-ium?
3,4,5-trimethyl-2-(1H-pyrazol-4-ylmethyl)-1,2-oxazol-2-ium has a molecular weight of 192.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-2-(1H-pyrazol-4-ylmethyl)-1,2-oxazol-2-ium is sourced from PubChem (CID 147046205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).