2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide

C13H15N5O2 — CID 60850157

IUPAC2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide
SMILESNCC(=O)NCC(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C13H15N5O2/c14-7-12(19)15-8-13(20)17-10-3-1-9(2-4-10)11-5-6-16-18-11/h1-6H,7-8,14H2,(H,15,19)(H,16,18)(H,17,20)
InChIKeyQCVREUROQVULMD-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.09
Rot. Bonds5

About 2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide

2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide (PubChem CID 60850157) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide
PubChem CID60850157
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide
SMILESNCC(=O)NCC(=O)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C13H15N5O2/c14-7-12(19)15-8-13(20)17-10-3-1-9(2-4-10)11-5-6-16-18-11/h1-6H,7-8,14H2,(H,15,19)(H,16,18)(H,17,20)
InChIKeyQCVREUROQVULMD-UHFFFAOYSA-N
XLogP0.09
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 61248448
4-bromo-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide
CID 55995142
7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide
CID 43713256
N-[4-(1H-pyrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924427
2,4-difluoro-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide
CID 55579201
5-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 107909041
2-amino-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]acetamide
CID 60926946
3-amino-2,2-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 81470210
3-amino-2-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]propanamide
CID 62668887
methyl 4-oxo-4-[4-(1H-pyrazol-5-yl)anilino]butanoate
CID 47174001
4-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]butanamide
CID 47282826
2-(cyclopropylmethoxy)-N-[4-(1H-pyrazol-5-yl)phenyl]acetamide
CID 51081144

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide (CID 60850157) is 2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide is NCC(=O)NCC(=O)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide?
The InChIKey is QCVREUROQVULMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c14-7-12(19)15-8-13(20)17-10-3-1-9(2-4-10)11-5-6-16-18-11/h1-6H,7-8,14H2,(H,15,19)(H,16,18)(H,17,20).
What are the key properties of 2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide?
2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide has a molecular weight of 273.30 g/mol, XLogP of 0.09, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]acetamide is sourced from PubChem (CID 60850157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).