ethyl 5-methoxy-3-methylpyrazole-1-carboxylate

C8H12N2O3 — CID 24976633

IUPACethyl 5-methoxy-3-methylpyrazole-1-carboxylate
SMILESCCOC(=O)n1nc(C)cc1OC
InChIInChI=1S/C8H12N2O3/c1-4-13-8(11)10-7(12-3)5-6(2)9-10/h5H,4H2,1-3H3
InChIKeyNZUGKCLFPCXPLH-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.20
Rot. Bonds2

About ethyl 5-methoxy-3-methylpyrazole-1-carboxylate

ethyl 5-methoxy-3-methylpyrazole-1-carboxylate (PubChem CID 24976633) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is ethyl 5-methoxy-3-methylpyrazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 5-methoxy-3-methylpyrazole-1-carboxylate
PubChem CID24976633
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Nameethyl 5-methoxy-3-methylpyrazole-1-carboxylate
SMILESCCOC(=O)n1nc(C)cc1OC
InChIInChI=1S/C8H12N2O3/c1-4-13-8(11)10-7(12-3)5-6(2)9-10/h5H,4H2,1-3H3
InChIKeyNZUGKCLFPCXPLH-UHFFFAOYSA-N
XLogP1.20
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Isolan
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5-methoxy-1,3-dimethyl-1H-pyrazole
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Carbamic acid, dimethyl-, 2-ethyl-5-methyl-3-pyrazolyl ester
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Pyrazole, 3-ethoxy-1,5-dimethyl-
CID 15447206
1,3-Dimethyl-5-(1-methylethoxy)-1H-pyrazole
CID 53918670
1-tert-butyl-5-methoxy-3-methyl-1H-pyrazole
CID 75454599
3-Acetoxy-1-acetyl-5-methylpyrazole
CID 3015954
1-tert-butyl-5-methoxy-3-trifluoromethyl-1H-pyrazole
CID 17862917
1-Tert-butyl-3-methoxy-5-(trifluoromethyl)pyrazole
CID 146378962
1-Tert-butyl-3-(difluoromethyl)-5-methoxypyrazole
CID 147951966

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-3-methylpyrazole-1-carboxylate?
The IUPAC name of ethyl 5-methoxy-3-methylpyrazole-1-carboxylate (CID 24976633) is ethyl 5-methoxy-3-methylpyrazole-1-carboxylate.
What is the SMILES notation for ethyl 5-methoxy-3-methylpyrazole-1-carboxylate?
The canonical SMILES for ethyl 5-methoxy-3-methylpyrazole-1-carboxylate is CCOC(=O)n1nc(C)cc1OC.
What is the InChIKey of ethyl 5-methoxy-3-methylpyrazole-1-carboxylate?
The InChIKey is NZUGKCLFPCXPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-4-13-8(11)10-7(12-3)5-6(2)9-10/h5H,4H2,1-3H3.
What are the key properties of ethyl 5-methoxy-3-methylpyrazole-1-carboxylate?
ethyl 5-methoxy-3-methylpyrazole-1-carboxylate has a molecular weight of 184.19 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-3-methylpyrazole-1-carboxylate is sourced from PubChem (CID 24976633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).