methyl 4-methoxy-1-methylpyrazole-5-carboxylate

C7H10N2O3 — CID 106942430

IUPACmethyl 4-methoxy-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(OC)cnn1C
InChIInChI=1S/C7H10N2O3/c1-9-6(7(10)12-3)5(11-2)4-8-9/h4H,1-3H3
InChIKeyJKKSQQOEXVXNJZ-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.22
Rot. Bonds2

About methyl 4-methoxy-1-methylpyrazole-5-carboxylate

methyl 4-methoxy-1-methylpyrazole-5-carboxylate (PubChem CID 106942430) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is methyl 4-methoxy-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-1-methylpyrazole-5-carboxylate
PubChem CID106942430
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Namemethyl 4-methoxy-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(OC)cnn1C
InChIInChI=1S/C7H10N2O3/c1-9-6(7(10)12-3)5(11-2)4-8-9/h4H,1-3H3
InChIKeyJKKSQQOEXVXNJZ-UHFFFAOYSA-N
XLogP0.22
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one
CID 114641358
6-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-4,4-dimethylhexan-1-one
CID 114669435
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
CID 115809538
(4-methoxy-1-methylpyrazol-5-yl)-(2-methylcyclopropyl)methanone
CID 114640859
4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one
CID 105132777
3,3,3-trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one
CID 103311593
1-(4-methoxy-1-methylpyrazol-5-yl)-2-propan-2-yloxyethanone
CID 105132749
6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809767
1-(4-methoxy-1-methylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105132702
(E)-1-(4-methoxy-1-methylpyrazol-5-yl)pent-2-en-1-one
CID 103454159
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)butan-1-one
CID 114642497

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-methoxy-1-methylpyrazole-5-carboxylate (CID 106942430) is methyl 4-methoxy-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-methoxy-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-methoxy-1-methylpyrazole-5-carboxylate is COC(=O)c1c(OC)cnn1C.
What is the InChIKey of methyl 4-methoxy-1-methylpyrazole-5-carboxylate?
The InChIKey is JKKSQQOEXVXNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-9-6(7(10)12-3)5(11-2)4-8-9/h4H,1-3H3.
What are the key properties of methyl 4-methoxy-1-methylpyrazole-5-carboxylate?
methyl 4-methoxy-1-methylpyrazole-5-carboxylate has a molecular weight of 170.17 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 106942430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).