[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-benzylpyrazole-4-carboxylate

C19H21N5O3 — CID 16619911

IUPAC[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-benzylpyrazole-4-carboxylate
SMILESCC(C)n1nccc1NC(=O)COC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H21N5O3/c1-14(2)24-17(8-9-20-24)22-18(25)13-27-19(26)16-10-21-23(12-16)11-15-6-4-3-5-7-15/h3-10,12,14H,11,13H2,1-2H3,(H,22,25)
InChIKeyUJOKPKSWAJNPRG-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.50
Rot. Bonds7

About [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-benzylpyrazole-4-carboxylate

[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-benzylpyrazole-4-carboxylate (PubChem CID 16619911) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-benzylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-benzylpyrazole-4-carboxylate
PubChem CID16619911
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-benzylpyrazole-4-carboxylate
SMILESCC(C)n1nccc1NC(=O)COC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H21N5O3/c1-14(2)24-17(8-9-20-24)22-18(25)13-27-19(26)16-10-21-23(12-16)11-15-6-4-3-5-7-15/h3-10,12,14H,11,13H2,1-2H3,(H,22,25)
InChIKeyUJOKPKSWAJNPRG-UHFFFAOYSA-N
XLogP2.50
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-benzylpyrazole-4-carboxylate?
The IUPAC name of [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-benzylpyrazole-4-carboxylate (CID 16619911) is [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-benzylpyrazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-benzylpyrazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-benzylpyrazole-4-carboxylate is CC(C)n1nccc1NC(=O)COC(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-benzylpyrazole-4-carboxylate?
The InChIKey is UJOKPKSWAJNPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-14(2)24-17(8-9-20-24)22-18(25)13-27-19(26)16-10-21-23(12-16)11-15-6-4-3-5-7-15/h3-10,12,14H,11,13H2,1-2H3,(H,22,25).
What are the key properties of [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-benzylpyrazole-4-carboxylate?
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-benzylpyrazole-4-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-benzylpyrazole-4-carboxylate is sourced from PubChem (CID 16619911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).