N-[2-amino-2-oxo-1-(1H-pyrazol-5-yl)ethyl]benzamide

C12H12N4O2 — CID 70531798

IUPACN-[2-amino-2-oxo-1-(1H-pyrazol-5-yl)ethyl]benzamide
SMILESNC(=O)C(NC(=O)c1ccccc1)c1ccn[nH]1
InChIInChI=1S/C12H12N4O2/c13-11(17)10(9-6-7-14-16-9)15-12(18)8-4-2-1-3-5-8/h1-7,10H,(H2,13,17)(H,14,16)(H,15,18)
InChIKeyMEYJBLLXJFYWHE-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.37
Rot. Bonds4

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

N-[2-amino-2-oxo-1-(1H-pyrazol-5-yl)ethyl]benzamide (PubChem CID 70531798) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-[2-amino-2-oxo-1-(1H-pyrazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-amino-2-oxo-1-(1H-pyrazol-5-yl)ethyl]benzamide
PubChem CID70531798
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN-[2-amino-2-oxo-1-(1H-pyrazol-5-yl)ethyl]benzamide
SMILESNC(=O)C(NC(=O)c1ccccc1)c1ccn[nH]1
InChIInChI=1S/C12H12N4O2/c13-11(17)10(9-6-7-14-16-9)15-12(18)8-4-2-1-3-5-8/h1-7,10H,(H2,13,17)(H,14,16)(H,15,18)
InChIKeyMEYJBLLXJFYWHE-UHFFFAOYSA-N
XLogP0.37
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-benzoyl-1H-pyrazole-5-carbohydrazide
CID 12921225
N-(1H-pyrazol-5-yl)benzamide
CID 23298723
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
(2R)-2-amino-2-benzamidoacetic acid
CID 86334519
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-3-(1H-1,2,4-triazol-5-yl)benzamide
CID 97252587
2-amino-2-benzamidoacetic acid;hydrochloride
CID 174337324
N-propan-2-yl-4-[1-(1H-pyrazol-5-yl)ethylamino]benzamide
CID 60971796
N-[2-amino-1-(4-fluorophenyl)-2-oxoethyl]pyridine-4-carboxamide
CID 75523855
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]-3-(1H-pyrazol-5-yl)propan-2-yl]benzamide
CID 10713675
4-[4-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]phenoxy]benzamide
CID 166195128
N-(2-hydrazinyl-2-oxo-1-phenylethyl)benzamide
CID 4534244

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-oxo-1-(1H-pyrazol-5-yl)ethyl]benzamide?
The IUPAC name of N-[2-amino-2-oxo-1-(1H-pyrazol-5-yl)ethyl]benzamide (CID 70531798) is N-[2-amino-2-oxo-1-(1H-pyrazol-5-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-amino-2-oxo-1-(1H-pyrazol-5-yl)ethyl]benzamide?
The canonical SMILES for N-[2-amino-2-oxo-1-(1H-pyrazol-5-yl)ethyl]benzamide is NC(=O)C(NC(=O)c1ccccc1)c1ccn[nH]1.
What is the InChIKey of N-[2-amino-2-oxo-1-(1H-pyrazol-5-yl)ethyl]benzamide?
The InChIKey is MEYJBLLXJFYWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c13-11(17)10(9-6-7-14-16-9)15-12(18)8-4-2-1-3-5-8/h1-7,10H,(H2,13,17)(H,14,16)(H,15,18).
What are the key properties of N-[2-amino-2-oxo-1-(1H-pyrazol-5-yl)ethyl]benzamide?
N-[2-amino-2-oxo-1-(1H-pyrazol-5-yl)ethyl]benzamide has a molecular weight of 244.25 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-oxo-1-(1H-pyrazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 70531798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).