2-(4-bromo-5-methylpyrazol-1-yl)-N-propylpropanamide

C10H16BrN3O — CID 19535452

IUPAC2-(4-bromo-5-methylpyrazol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1ncc(Br)c1C
InChIInChI=1S/C10H16BrN3O/c1-4-5-12-10(15)8(3)14-7(2)9(11)6-13-14/h6,8H,4-5H2,1-3H3,(H,12,15)
InChIKeyGNZRFKFSLVYONF-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.04
Rot. Bonds4

About 2-(4-bromo-5-methylpyrazol-1-yl)-N-propylpropanamide

2-(4-bromo-5-methylpyrazol-1-yl)-N-propylpropanamide (PubChem CID 19535452) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-(4-bromo-5-methylpyrazol-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-5-methylpyrazol-1-yl)-N-propylpropanamide
PubChem CID19535452
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name2-(4-bromo-5-methylpyrazol-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1ncc(Br)c1C
InChIInChI=1S/C10H16BrN3O/c1-4-5-12-10(15)8(3)14-7(2)9(11)6-13-14/h6,8H,4-5H2,1-3H3,(H,12,15)
InChIKeyGNZRFKFSLVYONF-UHFFFAOYSA-N
XLogP2.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
CID 19535537
2-(4-chloro-5-methylpyrazol-1-yl)-N-octadecylpropanamide
CID 19533617
diethyl 5-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 19535378
2-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17022302
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(propylamino)ethanone
CID 114668866
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539255
2-O-methyl 4-O-propyl 5-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 19535405
2-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19535541
2-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]propanamide
CID 19535499
ethyl 2-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19535384
2-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19535553
2-(4-bromo-5-methylpyrazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]propanamide
CID 19535361

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-propylpropanamide?
The IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-propylpropanamide (CID 19535452) is 2-(4-bromo-5-methylpyrazol-1-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(4-bromo-5-methylpyrazol-1-yl)-N-propylpropanamide?
The canonical SMILES for 2-(4-bromo-5-methylpyrazol-1-yl)-N-propylpropanamide is CCCNC(=O)C(C)n1ncc(Br)c1C.
What is the InChIKey of 2-(4-bromo-5-methylpyrazol-1-yl)-N-propylpropanamide?
The InChIKey is GNZRFKFSLVYONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-4-5-12-10(15)8(3)14-7(2)9(11)6-13-14/h6,8H,4-5H2,1-3H3,(H,12,15).
What are the key properties of 2-(4-bromo-5-methylpyrazol-1-yl)-N-propylpropanamide?
2-(4-bromo-5-methylpyrazol-1-yl)-N-propylpropanamide has a molecular weight of 274.16 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylpyrazol-1-yl)-N-propylpropanamide is sourced from PubChem (CID 19535452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).