ethyl 2-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]pyridine-4-carboxylate

C19H19N3O2 — CID 164611878

IUPACethyl 2-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2nn(C)cc2-c2cccc(C)c2)c1
InChIInChI=1S/C19H19N3O2/c1-4-24-19(23)15-8-9-20-17(11-15)18-16(12-22(3)21-18)14-7-5-6-13(2)10-14/h5-12H,4H2,1-3H3
InChIKeyGIJCIVVENPCQJN-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.63
Rot. Bonds4

About ethyl 2-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]pyridine-4-carboxylate

ethyl 2-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]pyridine-4-carboxylate (PubChem CID 164611878) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 2-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]pyridine-4-carboxylate
PubChem CID164611878
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Nameethyl 2-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2nn(C)cc2-c2cccc(C)c2)c1
InChIInChI=1S/C19H19N3O2/c1-4-24-19(23)15-8-9-20-17(11-15)18-16(12-22(3)21-18)14-7-5-6-13(2)10-14/h5-12H,4H2,1-3H3
InChIKeyGIJCIVVENPCQJN-UHFFFAOYSA-N
XLogP3.63
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]pyridine-4-carboxylate (CID 164611878) is ethyl 2-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]pyridine-4-carboxylate is CCOC(=O)c1ccnc(-c2nn(C)cc2-c2cccc(C)c2)c1.
What is the InChIKey of ethyl 2-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]pyridine-4-carboxylate?
The InChIKey is GIJCIVVENPCQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-4-24-19(23)15-8-9-20-17(11-15)18-16(12-22(3)21-18)14-7-5-6-13(2)10-14/h5-12H,4H2,1-3H3.
What are the key properties of ethyl 2-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]pyridine-4-carboxylate?
ethyl 2-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]pyridine-4-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-methyl-4-(3-methylphenyl)pyrazol-3-yl]pyridine-4-carboxylate is sourced from PubChem (CID 164611878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).