2-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide

C14H20BrN5O — CID 19535537

IUPAC2-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
SMILESCc1ccnn1CCCNC(=O)C(C)n1ncc(Br)c1C
InChIInChI=1S/C14H20BrN5O/c1-10-5-7-17-19(10)8-4-6-16-14(21)12(3)20-11(2)13(15)9-18-20/h5,7,9,12H,4,6,8H2,1-3H3,(H,16,21)
InChIKeyOMDFWEWWOPFTEJ-UHFFFAOYSA-N
MW354.25 g/mol
LogP2.23
Rot. Bonds6

About 2-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide

2-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide (PubChem CID 19535537) has the molecular formula C14H20BrN5O and a molecular weight of 354.25 g/mol. Its IUPAC name is 2-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
PubChem CID19535537
Molecular FormulaC14H20BrN5O
Molecular Weight354.25 g/mol
Exact Mass353.09
IUPAC Name2-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
SMILESCc1ccnn1CCCNC(=O)C(C)n1ncc(Br)c1C
InChIInChI=1S/C14H20BrN5O/c1-10-5-7-17-19(10)8-4-6-16-14(21)12(3)20-11(2)13(15)9-18-20/h5,7,9,12H,4,6,8H2,1-3H3,(H,16,21)
InChIKeyOMDFWEWWOPFTEJ-UHFFFAOYSA-N
XLogP2.23
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-4-nitropyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
CID 19539197
2-(4-bromopyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide
CID 19537660
2-(4-bromo-5-methylpyrazol-1-yl)-N-propylpropanamide
CID 19535452
4-bromo-1,3-dimethyl-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide
CID 19480499
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)propanamide
CID 19537379
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327860
2-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19535541
1-ethyl-3,5-dimethyl-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide
CID 19472186
1-methyl-4-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylic acid
CID 19623863
N-(3-methoxypropyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537426
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)propanamide
CID 19537675
2-(4-chloro-5-methylpyrazol-1-yl)-N-octadecylpropanamide
CID 19533617

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide?
The IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide (CID 19535537) is 2-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide.
What is the SMILES notation for 2-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide?
The canonical SMILES for 2-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide is Cc1ccnn1CCCNC(=O)C(C)n1ncc(Br)c1C.
What is the InChIKey of 2-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide?
The InChIKey is OMDFWEWWOPFTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5O/c1-10-5-7-17-19(10)8-4-6-16-14(21)12(3)20-11(2)13(15)9-18-20/h5,7,9,12H,4,6,8H2,1-3H3,(H,16,21).
What are the key properties of 2-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide?
2-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide has a molecular weight of 354.25 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(5-methylpyrazol-1-yl)propyl]propanamide is sourced from PubChem (CID 19535537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).