methyl 1-ethyl-3-methylpyrazole-4-carboxylate;methyl 1-ethyl-5-methylpyrazole-4-carboxylate

C16H24N4O4 — CID 158388301

IUPACmethyl 1-ethyl-3-methylpyrazole-4-carboxylate;methyl 1-ethyl-5-methylpyrazole-4-carboxylate
SMILESCCn1cc(C(=O)OC)c(C)n1.CCn1ncc(C(=O)OC)c1C
InChIInChI=1S/2C8H12N2O2/c1-4-10-5-7(6(2)9-10)8(11)12-3;1-4-10-6(2)7(5-9-10)8(11)12-3/h2*5H,4H2,1-3H3
InChIKeyGWQADSKRVDIIHP-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.00
Rot. Bonds4

About methyl 1-ethyl-3-methylpyrazole-4-carboxylate;methyl 1-ethyl-5-methylpyrazole-4-carboxylate

methyl 1-ethyl-3-methylpyrazole-4-carboxylate;methyl 1-ethyl-5-methylpyrazole-4-carboxylate (PubChem CID 158388301) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl 1-ethyl-3-methylpyrazole-4-carboxylate;methyl 1-ethyl-5-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-3-methylpyrazole-4-carboxylate;methyl 1-ethyl-5-methylpyrazole-4-carboxylate
PubChem CID158388301
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Namemethyl 1-ethyl-3-methylpyrazole-4-carboxylate;methyl 1-ethyl-5-methylpyrazole-4-carboxylate
SMILESCCn1cc(C(=O)OC)c(C)n1.CCn1ncc(C(=O)OC)c1C
InChIInChI=1S/2C8H12N2O2/c1-4-10-5-7(6(2)9-10)8(11)12-3;1-4-10-6(2)7(5-9-10)8(11)12-3/h2*5H,4H2,1-3H3
InChIKeyGWQADSKRVDIIHP-UHFFFAOYSA-N
XLogP2.00
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 1-[3-(1-ethyl-5-methylpyrazole-4-carbonyl)oxypropyl]-3-methylpyrazole-4-carboxylate
CID 163748875
methyl 2-(1-ethyl-3-methylpyrazol-4-yl)-2-oxoacetate
CID 112616484
(1-ethyl-5-methylpyrazol-4-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19478179
methyl 1,3-dimethylpyrazole-4-carboxylate
CID 12654287
1-ethyl-3-methylpyrazole-4-carbohydrazide
CID 46318394
methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate
CID 19474420
1-ethyl-4-[(1-ethyl-5-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxamide
CID 4772267
1-ethyl-N-[2-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrazole-4-carboxamide
CID 20836792
dimethyl 5-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 19474183
1-ethyl-N-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-methylpyrazole-4-carboxamide
CID 4774253
(E)-3-(4-bromo-1-ethylpyrazol-3-yl)-1-(1-ethyl-5-methylpyrazol-4-yl)prop-2-en-1-one
CID 19541011
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 19477847

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-3-methylpyrazole-4-carboxylate;methyl 1-ethyl-5-methylpyrazole-4-carboxylate?
The IUPAC name of methyl 1-ethyl-3-methylpyrazole-4-carboxylate;methyl 1-ethyl-5-methylpyrazole-4-carboxylate (CID 158388301) is methyl 1-ethyl-3-methylpyrazole-4-carboxylate;methyl 1-ethyl-5-methylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-ethyl-3-methylpyrazole-4-carboxylate;methyl 1-ethyl-5-methylpyrazole-4-carboxylate?
The canonical SMILES for methyl 1-ethyl-3-methylpyrazole-4-carboxylate;methyl 1-ethyl-5-methylpyrazole-4-carboxylate is CCn1cc(C(=O)OC)c(C)n1.CCn1ncc(C(=O)OC)c1C.
What is the InChIKey of methyl 1-ethyl-3-methylpyrazole-4-carboxylate;methyl 1-ethyl-5-methylpyrazole-4-carboxylate?
The InChIKey is GWQADSKRVDIIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H12N2O2/c1-4-10-5-7(6(2)9-10)8(11)12-3;1-4-10-6(2)7(5-9-10)8(11)12-3/h2*5H,4H2,1-3H3.
What are the key properties of methyl 1-ethyl-3-methylpyrazole-4-carboxylate;methyl 1-ethyl-5-methylpyrazole-4-carboxylate?
methyl 1-ethyl-3-methylpyrazole-4-carboxylate;methyl 1-ethyl-5-methylpyrazole-4-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-3-methylpyrazole-4-carboxylate;methyl 1-ethyl-5-methylpyrazole-4-carboxylate is sourced from PubChem (CID 158388301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).