[2-oxo-2-[[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]amino]ethyl] 1-pyridin-4-ylpyrazole-3-carboxylate

C24H24N6O3 — CID 166233455

IUPAC[2-oxo-2-[[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]amino]ethyl] 1-pyridin-4-ylpyrazole-3-carboxylate
SMILESCC(C)c1ccc(Cn2nccc2NC(=O)COC(=O)c2ccn(-c3ccncc3)n2)cc1
InChIInChI=1S/C24H24N6O3/c1-17(2)19-5-3-18(4-6-19)15-30-22(9-13-26-30)27-23(31)16-33-24(32)21-10-14-29(28-21)20-7-11-25-12-8-20/h3-14,17H,15-16H2,1-2H3,(H,27,31)
InChIKeyQKLSOFVGUALXLJ-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.43
Rot. Bonds8

About [2-oxo-2-[[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]amino]ethyl] 1-pyridin-4-ylpyrazole-3-carboxylate

[2-oxo-2-[[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]amino]ethyl] 1-pyridin-4-ylpyrazole-3-carboxylate (PubChem CID 166233455) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is [2-oxo-2-[[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]amino]ethyl] 1-pyridin-4-ylpyrazole-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]amino]ethyl] 1-pyridin-4-ylpyrazole-3-carboxylate
PubChem CID166233455
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name[2-oxo-2-[[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]amino]ethyl] 1-pyridin-4-ylpyrazole-3-carboxylate
SMILESCC(C)c1ccc(Cn2nccc2NC(=O)COC(=O)c2ccn(-c3ccncc3)n2)cc1
InChIInChI=1S/C24H24N6O3/c1-17(2)19-5-3-18(4-6-19)15-30-22(9-13-26-30)27-23(31)16-33-24(32)21-10-14-29(28-21)20-7-11-25-12-8-20/h3-14,17H,15-16H2,1-2H3,(H,27,31)
InChIKeyQKLSOFVGUALXLJ-UHFFFAOYSA-N
XLogP3.43
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-oxo-2-[[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]amino]ethyl] 1-pyridin-4-ylpyrazole-3-carboxylate with MolForge

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Related Compounds

ethyl 1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate
CID 154455563
1-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 166228034
[2-(ethylamino)-2-oxoethyl] 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 61314891
N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 35767629
4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide
CID 120559345
N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 35579074
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-(1,2,4-triazol-1-yl)benzoate
CID 9490700
2-(4-chlorophenoxy)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
CID 78806510
2-[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]propanamide
CID 143908452
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide
CID 86907615
2-(3,4-dichlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 8810777
[2-(3,4-dichloroanilino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 2356788

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]amino]ethyl] 1-pyridin-4-ylpyrazole-3-carboxylate?
The IUPAC name of [2-oxo-2-[[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]amino]ethyl] 1-pyridin-4-ylpyrazole-3-carboxylate (CID 166233455) is [2-oxo-2-[[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]amino]ethyl] 1-pyridin-4-ylpyrazole-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]amino]ethyl] 1-pyridin-4-ylpyrazole-3-carboxylate?
The canonical SMILES for [2-oxo-2-[[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]amino]ethyl] 1-pyridin-4-ylpyrazole-3-carboxylate is CC(C)c1ccc(Cn2nccc2NC(=O)COC(=O)c2ccn(-c3ccncc3)n2)cc1.
What is the InChIKey of [2-oxo-2-[[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]amino]ethyl] 1-pyridin-4-ylpyrazole-3-carboxylate?
The InChIKey is QKLSOFVGUALXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-17(2)19-5-3-18(4-6-19)15-30-22(9-13-26-30)27-23(31)16-33-24(32)21-10-14-29(28-21)20-7-11-25-12-8-20/h3-14,17H,15-16H2,1-2H3,(H,27,31).
What are the key properties of [2-oxo-2-[[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]amino]ethyl] 1-pyridin-4-ylpyrazole-3-carboxylate?
[2-oxo-2-[[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]amino]ethyl] 1-pyridin-4-ylpyrazole-3-carboxylate has a molecular weight of 444.50 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[2-[(4-propan-2-ylphenyl)methyl]pyrazol-3-yl]amino]ethyl] 1-pyridin-4-ylpyrazole-3-carboxylate is sourced from PubChem (CID 166233455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).