methyl 1,3-dimethylpyrazole-4-carboxylate

C7H10N2O2 — CID 12654287

IUPACmethyl 1,3-dimethylpyrazole-4-carboxylate
SMILESCOC(=O)c1cn(C)nc1C
InChIInChI=1S/C7H10N2O2/c1-5-6(7(10)11-3)4-9(2)8-5/h4H,1-3H3
InChIKeyXKJFZAQHRQDNIF-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.52
Rot. Bonds1

About methyl 1,3-dimethylpyrazole-4-carboxylate

methyl 1,3-dimethylpyrazole-4-carboxylate (PubChem CID 12654287) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is methyl 1,3-dimethylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1,3-dimethylpyrazole-4-carboxylate
PubChem CID12654287
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Namemethyl 1,3-dimethylpyrazole-4-carboxylate
SMILESCOC(=O)c1cn(C)nc1C
InChIInChI=1S/C7H10N2O2/c1-5-6(7(10)11-3)4-9(2)8-5/h4H,1-3H3
InChIKeyXKJFZAQHRQDNIF-UHFFFAOYSA-N
XLogP0.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474960
N-(2-methoxyethoxy)-1,3-dimethylpyrazole-4-carboxamide
CID 103728119
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
1,1,1-trifluoropropan-2-yl 1,3-dimethylpyrazole-4-carboxylate
CID 71987383
1-(1,3-dimethylpyrazol-4-yl)-5-methoxypentane-1,3-dione
CID 65197098
N-tert-butyl-1,3-dimethylpyrazole-4-carboxamide
CID 42352825
methyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbenzoate
CID 83086650
1H-pyrazol-5-yl 1,3-dimethylpyrazole-4-carboxylate
CID 164529326
1-(5-chlorothiophen-2-yl)-3-(1,3-dimethylpyrazol-4-yl)propane-1,3-dione
CID 102801743
2-chloro-1,3-bis(1,3-dimethylpyrazol-4-yl)propane-1,3-dione
CID 19588271
N-(2-amino-2-oxoethoxy)-1,3-dimethylpyrazole-4-carboxamide
CID 103901265
methyl 1-methyl-3-(pyrrolidin-1-ylmethyl)pyrazole-4-carboxylate
CID 132585947

Frequently Asked Questions

What is the IUPAC name of methyl 1,3-dimethylpyrazole-4-carboxylate?
The IUPAC name of methyl 1,3-dimethylpyrazole-4-carboxylate (CID 12654287) is methyl 1,3-dimethylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 1,3-dimethylpyrazole-4-carboxylate?
The canonical SMILES for methyl 1,3-dimethylpyrazole-4-carboxylate is COC(=O)c1cn(C)nc1C.
What is the InChIKey of methyl 1,3-dimethylpyrazole-4-carboxylate?
The InChIKey is XKJFZAQHRQDNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5-6(7(10)11-3)4-9(2)8-5/h4H,1-3H3.
What are the key properties of methyl 1,3-dimethylpyrazole-4-carboxylate?
methyl 1,3-dimethylpyrazole-4-carboxylate has a molecular weight of 154.17 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3-dimethylpyrazole-4-carboxylate is sourced from PubChem (CID 12654287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).