3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]propanamide

C13H18BrN5O — CID 17023016

IUPAC3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]propanamide
SMILESCCn1ccc(CNC(=O)CCn2cc(Br)c(C)n2)n1
InChIInChI=1S/C13H18BrN5O/c1-3-18-6-4-11(17-18)8-15-13(20)5-7-19-9-12(14)10(2)16-19/h4,6,9H,3,5,7-8H2,1-2H3,(H,15,20)
InChIKeyILQLOLPPHDTGAS-UHFFFAOYSA-N
MW340.23 g/mol
LogP1.88
Rot. Bonds6

About 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]propanamide

3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]propanamide (PubChem CID 17023016) has the molecular formula C13H18BrN5O and a molecular weight of 340.23 g/mol. Its IUPAC name is 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]propanamide
PubChem CID17023016
Molecular FormulaC13H18BrN5O
Molecular Weight340.23 g/mol
Exact Mass339.07
IUPAC Name3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]propanamide
SMILESCCn1ccc(CNC(=O)CCn2cc(Br)c(C)n2)n1
InChIInChI=1S/C13H18BrN5O/c1-3-18-6-4-11(17-18)8-15-13(20)5-7-19-9-12(14)10(2)16-19/h4,6,9H,3,5,7-8H2,1-2H3,(H,15,20)
InChIKeyILQLOLPPHDTGAS-UHFFFAOYSA-N
XLogP1.88
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[2-(4-bromopyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide
CID 4768660
4-bromo-N-[3-(4-bromo-1H-pyrazol-1-yl)propyl]-1-methyl-1H-pyrazole-3-carboxamide
CID 17020567
N-(sec-butyl)-3-(3-methyl-1H-pyrazol-1-yl)propanamide
CID 19555821
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylpyrazol-1-yl)ethyl]butanamide
CID 6499045
N-{4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL}-2-(3-methyl-1H-pyrazol-1-YL)acetamide
CID 91923159
4-bromo-1-methyl-N-[(1-methyl-1H-pyrazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19575588
3-(4-bromo-3-methylpyrazolyl)-N-cyclopentylpropanamide
CID 19584292
(2S)-2-(4-bromo-3-methylpyrazol-1-yl)-N-propan-2-ylpropanamide
CID 40441239
(4S)-1-methyl-2-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazolidine-4-carboxamide
CID 164631700
2-(4-Bromo-3-methyl-1H-pyrazol-1-YL)-N~1~-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-YL]propanamide
CID 19575978
N-[3-(4-bromopyrazol-1-yl)propyl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 4769959
3-(4-bromo-3-methyl-1H-pyrazol-1-yl)-N-{1-[(2,2,2-trifluoroethoxy)methyl]-1H-pyrazol-4-yl}propanamide
CID 4777225

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]propanamide?
The IUPAC name of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]propanamide (CID 17023016) is 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]propanamide is CCn1ccc(CNC(=O)CCn2cc(Br)c(C)n2)n1.
What is the InChIKey of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]propanamide?
The InChIKey is ILQLOLPPHDTGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5O/c1-3-18-6-4-11(17-18)8-15-13(20)5-7-19-9-12(14)10(2)16-19/h4,6,9H,3,5,7-8H2,1-2H3,(H,15,20).
What are the key properties of 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]propanamide?
3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]propanamide has a molecular weight of 340.23 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-methylpyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 17023016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).