methyl 5-amino-4-(4-ethylphenyl)-1-methylpyrazole-3-carboxylate

C14H17N3O2 — CID 82089853

IUPACmethyl 5-amino-4-(4-ethylphenyl)-1-methylpyrazole-3-carboxylate
SMILESCCc1ccc(-c2c(C(=O)OC)nn(C)c2N)cc1
InChIInChI=1S/C14H17N3O2/c1-4-9-5-7-10(8-6-9)11-12(14(18)19-3)16-17(2)13(11)15/h5-8H,4,15H2,1-3H3
InChIKeyZSGRDYKICAKTIO-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.02
Rot. Bonds3

About methyl 5-amino-4-(4-ethylphenyl)-1-methylpyrazole-3-carboxylate

methyl 5-amino-4-(4-ethylphenyl)-1-methylpyrazole-3-carboxylate (PubChem CID 82089853) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 5-amino-4-(4-ethylphenyl)-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-4-(4-ethylphenyl)-1-methylpyrazole-3-carboxylate
PubChem CID82089853
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namemethyl 5-amino-4-(4-ethylphenyl)-1-methylpyrazole-3-carboxylate
SMILESCCc1ccc(-c2c(C(=O)OC)nn(C)c2N)cc1
InChIInChI=1S/C14H17N3O2/c1-4-9-5-7-10(8-6-9)11-12(14(18)19-3)16-17(2)13(11)15/h5-8H,4,15H2,1-3H3
InChIKeyZSGRDYKICAKTIO-UHFFFAOYSA-N
XLogP2.02
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-4-(4-ethylphenyl)-1-methylpyrazole-3-carboxylate?
The IUPAC name of methyl 5-amino-4-(4-ethylphenyl)-1-methylpyrazole-3-carboxylate (CID 82089853) is methyl 5-amino-4-(4-ethylphenyl)-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-amino-4-(4-ethylphenyl)-1-methylpyrazole-3-carboxylate?
The canonical SMILES for methyl 5-amino-4-(4-ethylphenyl)-1-methylpyrazole-3-carboxylate is CCc1ccc(-c2c(C(=O)OC)nn(C)c2N)cc1.
What is the InChIKey of methyl 5-amino-4-(4-ethylphenyl)-1-methylpyrazole-3-carboxylate?
The InChIKey is ZSGRDYKICAKTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-9-5-7-10(8-6-9)11-12(14(18)19-3)16-17(2)13(11)15/h5-8H,4,15H2,1-3H3.
What are the key properties of methyl 5-amino-4-(4-ethylphenyl)-1-methylpyrazole-3-carboxylate?
methyl 5-amino-4-(4-ethylphenyl)-1-methylpyrazole-3-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-4-(4-ethylphenyl)-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 82089853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).