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

C22H24N4O3 — CID 164623500

IUPACethyl 2-[1-methyl-4-(3-morpholin-4-ylphenyl)pyrazol-3-yl]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2nn(C)cc2-c2cccc(N3CCOCC3)c2)c1
InChIInChI=1S/C22H24N4O3/c1-3-29-22(27)17-7-8-23-20(14-17)21-19(15-25(2)24-21)16-5-4-6-18(13-16)26-9-11-28-12-10-26/h4-8,13-15H,3,9-12H2,1-2H3
InChIKeyXYXCGCHJBOWOKV-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.16
Rot. Bonds5

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

ethyl 2-[1-methyl-4-(3-morpholin-4-ylphenyl)pyrazol-3-yl]pyridine-4-carboxylate (PubChem CID 164623500) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is ethyl 2-[1-methyl-4-(3-morpholin-4-ylphenyl)pyrazol-3-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[1-methyl-4-(3-morpholin-4-ylphenyl)pyrazol-3-yl]pyridine-4-carboxylate
PubChem CID164623500
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Nameethyl 2-[1-methyl-4-(3-morpholin-4-ylphenyl)pyrazol-3-yl]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2nn(C)cc2-c2cccc(N3CCOCC3)c2)c1
InChIInChI=1S/C22H24N4O3/c1-3-29-22(27)17-7-8-23-20(14-17)21-19(15-25(2)24-21)16-5-4-6-18(13-16)26-9-11-28-12-10-26/h4-8,13-15H,3,9-12H2,1-2H3
InChIKeyXYXCGCHJBOWOKV-UHFFFAOYSA-N
XLogP3.16
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-methyl-4-(3-morpholin-4-ylphenyl)pyrazol-3-yl]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[1-methyl-4-(3-morpholin-4-ylphenyl)pyrazol-3-yl]pyridine-4-carboxylate (CID 164623500) is ethyl 2-[1-methyl-4-(3-morpholin-4-ylphenyl)pyrazol-3-yl]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[1-methyl-4-(3-morpholin-4-ylphenyl)pyrazol-3-yl]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[1-methyl-4-(3-morpholin-4-ylphenyl)pyrazol-3-yl]pyridine-4-carboxylate is CCOC(=O)c1ccnc(-c2nn(C)cc2-c2cccc(N3CCOCC3)c2)c1.
What is the InChIKey of ethyl 2-[1-methyl-4-(3-morpholin-4-ylphenyl)pyrazol-3-yl]pyridine-4-carboxylate?
The InChIKey is XYXCGCHJBOWOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-29-22(27)17-7-8-23-20(14-17)21-19(15-25(2)24-21)16-5-4-6-18(13-16)26-9-11-28-12-10-26/h4-8,13-15H,3,9-12H2,1-2H3.
What are the key properties of ethyl 2-[1-methyl-4-(3-morpholin-4-ylphenyl)pyrazol-3-yl]pyridine-4-carboxylate?
ethyl 2-[1-methyl-4-(3-morpholin-4-ylphenyl)pyrazol-3-yl]pyridine-4-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-methyl-4-(3-morpholin-4-ylphenyl)pyrazol-3-yl]pyridine-4-carboxylate is sourced from PubChem (CID 164623500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).