[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate

C23H26N4O4 — CID 55704805

IUPAC[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCOc1ccccc1C(C)NC(=O)COC(=O)c1cnn(-c2ccccn2)c1C(C)C
InChIInChI=1S/C23H26N4O4/c1-15(2)22-18(13-25-27(22)20-11-7-8-12-24-20)23(29)31-14-21(28)26-16(3)17-9-5-6-10-19(17)30-4/h5-13,15-16H,14H2,1-4H3,(H,26,28)
InChIKeyJCCGYGYEYXYNBC-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.43
Rot. Bonds8

About [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate

[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate (PubChem CID 55704805) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
PubChem CID55704805
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCOc1ccccc1C(C)NC(=O)COC(=O)c1cnn(-c2ccccn2)c1C(C)C
InChIInChI=1S/C23H26N4O4/c1-15(2)22-18(13-25-27(22)20-11-7-8-12-24-20)23(29)31-14-21(28)26-16(3)17-9-5-6-10-19(17)30-4/h5-13,15-16H,14H2,1-4H3,(H,26,28)
InChIKeyJCCGYGYEYXYNBC-UHFFFAOYSA-N
XLogP3.43
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-methoxyanilino)-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46605146
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55704928
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46604939
[2-(2-benzylanilino)-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46605439
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46604992
[2-oxo-2-(2-phenoxyethylamino)ethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46458881
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46605125
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46605579
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 46605517
2-O-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504459
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18192145
ethyl N-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]carbamate
CID 46429270

Frequently Asked Questions

What is the IUPAC name of [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate?
The IUPAC name of [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate (CID 55704805) is [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate is COc1ccccc1C(C)NC(=O)COC(=O)c1cnn(-c2ccccn2)c1C(C)C.
What is the InChIKey of [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate?
The InChIKey is JCCGYGYEYXYNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-15(2)22-18(13-25-27(22)20-11-7-8-12-24-20)23(29)31-14-21(28)26-16(3)17-9-5-6-10-19(17)30-4/h5-13,15-16H,14H2,1-4H3,(H,26,28).
What are the key properties of [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate?
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate has a molecular weight of 422.49 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 55704805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).