N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-bromo-2-hydroxybenzamide

C12H11BrN4O3 — CID 47466044

IUPACN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-bromo-2-hydroxybenzamide
SMILESNC(=O)Cn1cc(NC(=O)c2ccc(Br)cc2O)cn1
InChIInChI=1S/C12H11BrN4O3/c13-7-1-2-9(10(18)3-7)12(20)16-8-4-15-17(5-8)6-11(14)19/h1-5,18H,6H2,(H2,14,19)(H,16,20)
InChIKeyLFILNXINVFPNTA-UHFFFAOYSA-N
MW339.15 g/mol
LogP1.09
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-bromo-2-hydroxybenzamide

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-bromo-2-hydroxybenzamide (PubChem CID 47466044) has the molecular formula C12H11BrN4O3 and a molecular weight of 339.15 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-bromo-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-bromo-2-hydroxybenzamide
PubChem CID47466044
Molecular FormulaC12H11BrN4O3
Molecular Weight339.15 g/mol
Exact Mass338.00
IUPAC NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-bromo-2-hydroxybenzamide
SMILESNC(=O)Cn1cc(NC(=O)c2ccc(Br)cc2O)cn1
InChIInChI=1S/C12H11BrN4O3/c13-7-1-2-9(10(18)3-7)12(20)16-8-4-15-17(5-8)6-11(14)19/h1-5,18H,6H2,(H2,14,19)(H,16,20)
InChIKeyLFILNXINVFPNTA-UHFFFAOYSA-N
XLogP1.09
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(5-bromo-2-iodobenzoyl)amino]pyrazol-1-yl]acetic acid
CID 61017341
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
CID 55726267
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-bromo-5-methylbenzamide
CID 104852202
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2,5-dichlorothiophene-3-carboxamide
CID 146122700
4-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzamide
CID 43705831
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-chloropyridine-4-carboxamide
CID 47287788
2-bromo-4-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 60932817
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 55848411
N-(1-benzylpyrazol-4-yl)-5-bromo-2-iodobenzamide
CID 55983138
2-bromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 47267940
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide
CID 107903728
3,5-dibromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 103908065

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-bromo-2-hydroxybenzamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-bromo-2-hydroxybenzamide (CID 47466044) is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-bromo-2-hydroxybenzamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-bromo-2-hydroxybenzamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-bromo-2-hydroxybenzamide is NC(=O)Cn1cc(NC(=O)c2ccc(Br)cc2O)cn1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-bromo-2-hydroxybenzamide?
The InChIKey is LFILNXINVFPNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O3/c13-7-1-2-9(10(18)3-7)12(20)16-8-4-15-17(5-8)6-11(14)19/h1-5,18H,6H2,(H2,14,19)(H,16,20).
What are the key properties of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-bromo-2-hydroxybenzamide?
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-bromo-2-hydroxybenzamide has a molecular weight of 339.15 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-bromo-2-hydroxybenzamide is sourced from PubChem (CID 47466044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).