2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

C13H14BrN3O — CID 103856637

IUPAC2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCc1ccc(Br)c(C(=O)NC(C)c2cn[nH]c2)c1
InChIInChI=1S/C13H14BrN3O/c1-8-3-4-12(14)11(5-8)13(18)17-9(2)10-6-15-16-7-10/h3-7,9H,1-2H3,(H,15,16)(H,17,18)
InChIKeyFNWWUTWSSWPSNT-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.97
Rot. Bonds3

About 2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide

2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (PubChem CID 103856637) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
PubChem CID103856637
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
SMILESCc1ccc(Br)c(C(=O)NC(C)c2cn[nH]c2)c1
InChIInChI=1S/C13H14BrN3O/c1-8-3-4-12(14)11(5-8)13(18)17-9(2)10-6-15-16-7-10/h3-7,9H,1-2H3,(H,15,16)(H,17,18)
InChIKeyFNWWUTWSSWPSNT-UHFFFAOYSA-N
XLogP2.97
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857031
2-bromo-5-methyl-N-(1H-pyrazol-4-yl)benzamide
CID 80980041
2-(3-aminoprop-1-ynyl)-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106217837
2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106208042
2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856738
2-bromo-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 81004513
2-methyl-5-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103855780
2-bromo-N-[1-(2-bromophenyl)ethyl]-5-methylbenzamide
CID 81110213
4-bromo-3,5-dimethoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856688
methyl 2-[(2-bromo-5-methylbenzoyl)amino]propanoate
CID 81109488
2-bromo-6-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856239

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide (CID 103856637) is 2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is Cc1ccc(Br)c(C(=O)NC(C)c2cn[nH]c2)c1.
What is the InChIKey of 2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
The InChIKey is FNWWUTWSSWPSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-8-3-4-12(14)11(5-8)13(18)17-9(2)10-6-15-16-7-10/h3-7,9H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide?
2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide has a molecular weight of 308.18 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 103856637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).