2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide

C14H20BrN5O — CID 19294706

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
SMILESCCn1nccc1CNC(=O)C(C)n1nc(C)c(Br)c1C
InChIInChI=1S/C14H20BrN5O/c1-5-19-12(6-7-17-19)8-16-14(21)11(4)20-10(3)13(15)9(2)18-20/h6-7,11H,5,8H2,1-4H3,(H,16,21)
InChIKeyXLPAIIQRBPUTTI-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.36
Rot. Bonds5

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide (PubChem CID 19294706) has the molecular formula C14H20BrN5O and a molecular weight of 354.25 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
PubChem CID19294706
Molecular FormulaC14H20BrN5O
Molecular Weight354.25 g/mol
Exact Mass353.09
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
SMILESCCn1nccc1CNC(=O)C(C)n1nc(C)c(Br)c1C
InChIInChI=1S/C14H20BrN5O/c1-5-19-12(6-7-17-19)8-16-14(21)11(4)20-10(3)13(15)9(2)18-20/h6-7,11H,5,8H2,1-4H3,(H,16,21)
InChIKeyXLPAIIQRBPUTTI-UHFFFAOYSA-N
XLogP2.36
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
CID 19294693
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)propanamide
CID 19538290
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]propanamide
CID 19296892
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
CID 19532635
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide
CID 19536002
4-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19538352
N-(4-aminophenyl)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62130906
N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylacetamide
CID 19294481
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
CID 19533530
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide
CID 19536019
2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid
CID 17024617
(2R)-2-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoic acid
CID 7017609

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide (CID 19294706) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide is CCn1nccc1CNC(=O)C(C)n1nc(C)c(Br)c1C.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide?
The InChIKey is XLPAIIQRBPUTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5O/c1-5-19-12(6-7-17-19)8-16-14(21)11(4)20-10(3)13(15)9(2)18-20/h6-7,11H,5,8H2,1-4H3,(H,16,21).
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide has a molecular weight of 354.25 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 19294706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).