N-(2-amino-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide

C12H12N4O2 — CID 110473761

IUPACN-(2-amino-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide
SMILESNC(=O)CNC(=O)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C12H12N4O2/c13-11(17)7-14-12(18)9-3-1-8(2-4-9)10-5-15-16-6-10/h1-6H,7H2,(H2,13,17)(H,14,18)(H,15,16)
InChIKeyHZRGHMILYKPKBD-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.29
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide

N-(2-amino-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 110473761) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide
PubChem CID110473761
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN-(2-amino-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide
SMILESNC(=O)CNC(=O)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C12H12N4O2/c13-11(17)7-14-12(18)9-3-1-8(2-4-9)10-5-15-16-6-10/h1-6H,7H2,(H2,13,17)(H,14,18)(H,15,16)
InChIKeyHZRGHMILYKPKBD-UHFFFAOYSA-N
XLogP0.29
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 ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide (CID 110473761) is N-(2-amino-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide is NC(=O)CNC(=O)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide?
The InChIKey is HZRGHMILYKPKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c13-11(17)7-14-12(18)9-3-1-8(2-4-9)10-5-15-16-6-10/h1-6H,7H2,(H2,13,17)(H,14,18)(H,15,16).
What are the key properties of N-(2-amino-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide?
N-(2-amino-2-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide has a molecular weight of 244.25 g/mol, XLogP of 0.29, 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-oxoethyl)-4-(1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 110473761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).