ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate

C14H17N3O3 — CID 135372866

IUPACethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(-c2ccc(OC)cc2)c1N
InChIInChI=1S/C14H17N3O3/c1-4-20-14(18)12-9(2)16-17(13(12)15)10-5-7-11(19-3)8-6-10/h5-8H,4,15H2,1-3H3
InChIKeyNFMVOWJZLYEMFG-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.95
Rot. Bonds4

About ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate

ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate (PubChem CID 135372866) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate
PubChem CID135372866
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Nameethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(-c2ccc(OC)cc2)c1N
InChIInChI=1S/C14H17N3O3/c1-4-20-14(18)12-9(2)16-17(13(12)15)10-5-7-11(19-3)8-6-10/h5-8H,4,15H2,1-3H3
InChIKeyNFMVOWJZLYEMFG-UHFFFAOYSA-N
XLogP1.95
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-4-chloro-1-(4-methoxyphenyl)pyrazole-3-carboxylate
CID 112707174
ethyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 43836208
ethyl 5-amino-3-methyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxylate
CID 23039896
ethyl 4-amino-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate
CID 705131
ethyl 1-(4-methoxyphenyl)-3-methylsulfonylpyrazole-5-carboxylate
CID 22318530
ethyl 5-acetylimino-4-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxylate
CID 698440
ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851405
ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate
CID 143211364
diethyl 1-(4-methoxyphenyl)-3-(2-oxochromen-3-yl)pyrazole-4,5-dicarboxylate
CID 71739972
ethyl 5-amino-3-cyclopentyl-1-(4-fluorophenyl)pyrazole-4-carboxylate
CID 22309747
ethyl 3-bromo-1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 138506113
tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate
CID 11733003

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate (CID 135372866) is ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate is CCOC(=O)c1c(C)nn(-c2ccc(OC)cc2)c1N.
What is the InChIKey of ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate?
The InChIKey is NFMVOWJZLYEMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-4-20-14(18)12-9(2)16-17(13(12)15)10-5-7-11(19-3)8-6-10/h5-8H,4,15H2,1-3H3.
What are the key properties of ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate?
ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(4-methoxyphenyl)-3-methylpyrazole-4-carboxylate is sourced from PubChem (CID 135372866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).