methyl 2-ethyl-5-methylpyrazole-3-carboxylate

C8H12N2O2 — CID 22167575

IUPACmethyl 2-ethyl-5-methylpyrazole-3-carboxylate
SMILESCCn1nc(C)cc1C(=O)OC
InChIInChI=1S/C8H12N2O2/c1-4-10-7(8(11)12-3)5-6(2)9-10/h5H,4H2,1-3H3
InChIKeyQQCDTXYUOXYOTM-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.00
Rot. Bonds2

About methyl 2-ethyl-5-methylpyrazole-3-carboxylate

methyl 2-ethyl-5-methylpyrazole-3-carboxylate (PubChem CID 22167575) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is methyl 2-ethyl-5-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-5-methylpyrazole-3-carboxylate
PubChem CID22167575
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Namemethyl 2-ethyl-5-methylpyrazole-3-carboxylate
SMILESCCn1nc(C)cc1C(=O)OC
InChIInChI=1S/C8H12N2O2/c1-4-10-7(8(11)12-3)5-6(2)9-10/h5H,4H2,1-3H3
InChIKeyQQCDTXYUOXYOTM-UHFFFAOYSA-N
XLogP1.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-5-methylpyrazole-3-carboxylate?
The IUPAC name of methyl 2-ethyl-5-methylpyrazole-3-carboxylate (CID 22167575) is methyl 2-ethyl-5-methylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 2-ethyl-5-methylpyrazole-3-carboxylate?
The canonical SMILES for methyl 2-ethyl-5-methylpyrazole-3-carboxylate is CCn1nc(C)cc1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-5-methylpyrazole-3-carboxylate?
The InChIKey is QQCDTXYUOXYOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-10-7(8(11)12-3)5-6(2)9-10/h5H,4H2,1-3H3.
What are the key properties of methyl 2-ethyl-5-methylpyrazole-3-carboxylate?
methyl 2-ethyl-5-methylpyrazole-3-carboxylate has a molecular weight of 168.20 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-5-methylpyrazole-3-carboxylate is sourced from PubChem (CID 22167575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).