ethyl 2-[4-(3,5-dimethoxyphenyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate

C20H21N3O4 — CID 164624157

IUPACethyl 2-[4-(3,5-dimethoxyphenyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2nn(C)cc2-c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C20H21N3O4/c1-5-27-20(24)13-6-7-21-18(10-13)19-17(12-23(2)22-19)14-8-15(25-3)11-16(9-14)26-4/h6-12H,5H2,1-4H3
InChIKeyAHRVJBMNQBAGPH-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.34
Rot. Bonds6

About ethyl 2-[4-(3,5-dimethoxyphenyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate

ethyl 2-[4-(3,5-dimethoxyphenyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate (PubChem CID 164624157) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is ethyl 2-[4-(3,5-dimethoxyphenyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(3,5-dimethoxyphenyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate
PubChem CID164624157
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Nameethyl 2-[4-(3,5-dimethoxyphenyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2nn(C)cc2-c2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C20H21N3O4/c1-5-27-20(24)13-6-7-21-18(10-13)19-17(12-23(2)22-19)14-8-15(25-3)11-16(9-14)26-4/h6-12H,5H2,1-4H3
InChIKeyAHRVJBMNQBAGPH-UHFFFAOYSA-N
XLogP3.34
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3,5-dimethoxyphenyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[4-(3,5-dimethoxyphenyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate (CID 164624157) is ethyl 2-[4-(3,5-dimethoxyphenyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[4-(3,5-dimethoxyphenyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[4-(3,5-dimethoxyphenyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate is CCOC(=O)c1ccnc(-c2nn(C)cc2-c2cc(OC)cc(OC)c2)c1.
What is the InChIKey of ethyl 2-[4-(3,5-dimethoxyphenyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate?
The InChIKey is AHRVJBMNQBAGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-5-27-20(24)13-6-7-21-18(10-13)19-17(12-23(2)22-19)14-8-15(25-3)11-16(9-14)26-4/h6-12H,5H2,1-4H3.
What are the key properties of ethyl 2-[4-(3,5-dimethoxyphenyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate?
ethyl 2-[4-(3,5-dimethoxyphenyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(3,5-dimethoxyphenyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate is sourced from PubChem (CID 164624157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).