methyl 5-ethyl-1-quinolin-2-ylpyrazole-4-carboxylate

C16H15N3O2 — CID 18384988

IUPACmethyl 5-ethyl-1-quinolin-2-ylpyrazole-4-carboxylate
SMILESCCc1c(C(=O)OC)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C16H15N3O2/c1-3-14-12(16(20)21-2)10-17-19(14)15-9-8-11-6-4-5-7-13(11)18-15/h4-10H,3H2,1-2H3
InChIKeyZXPLTAFDYVKYES-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.77
Rot. Bonds3

About methyl 5-ethyl-1-quinolin-2-ylpyrazole-4-carboxylate

methyl 5-ethyl-1-quinolin-2-ylpyrazole-4-carboxylate (PubChem CID 18384988) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is methyl 5-ethyl-1-quinolin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-1-quinolin-2-ylpyrazole-4-carboxylate
PubChem CID18384988
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Namemethyl 5-ethyl-1-quinolin-2-ylpyrazole-4-carboxylate
SMILESCCc1c(C(=O)OC)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C16H15N3O2/c1-3-14-12(16(20)21-2)10-17-19(14)15-9-8-11-6-4-5-7-13(11)18-15/h4-10H,3H2,1-2H3
InChIKeyZXPLTAFDYVKYES-UHFFFAOYSA-N
XLogP2.77
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzene-1,4-dicarboxylate
CID 108788953
5-ethyl-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82361151
N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788938
ethyl 5-(butoxycarbonylamino)-1-quinolin-2-ylpyrazole-4-carboxylate
CID 108746956
N-(2-hydroxypropyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789019
ethyl 5-[(5-oxo-5-phenylpentanoyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate
CID 108746971
butyl 2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 108788917
ethyl 1-(6-bromo-2-pyridinyl)-5-ethylpyrazole-4-carboxylate
CID 118626278
N-(4-cyano-1-quinolin-2-ylpyrazol-5-yl)-2-methoxyacetamide
CID 108747297
ethyl 5-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate
CID 108746974
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788899
3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108801795

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-1-quinolin-2-ylpyrazole-4-carboxylate?
The IUPAC name of methyl 5-ethyl-1-quinolin-2-ylpyrazole-4-carboxylate (CID 18384988) is methyl 5-ethyl-1-quinolin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-ethyl-1-quinolin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for methyl 5-ethyl-1-quinolin-2-ylpyrazole-4-carboxylate is CCc1c(C(=O)OC)cnn1-c1ccc2ccccc2n1.
What is the InChIKey of methyl 5-ethyl-1-quinolin-2-ylpyrazole-4-carboxylate?
The InChIKey is ZXPLTAFDYVKYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-3-14-12(16(20)21-2)10-17-19(14)15-9-8-11-6-4-5-7-13(11)18-15/h4-10H,3H2,1-2H3.
What are the key properties of methyl 5-ethyl-1-quinolin-2-ylpyrazole-4-carboxylate?
methyl 5-ethyl-1-quinolin-2-ylpyrazole-4-carboxylate has a molecular weight of 281.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-1-quinolin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 18384988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).