2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide

C17H22BrN3O3 — CID 19537609

IUPAC2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide
SMILESCCOc1ccc(CNC(=O)C(C)n2cc(Br)cn2)cc1OCC
InChIInChI=1S/C17H22BrN3O3/c1-4-23-15-7-6-13(8-16(15)24-5-2)9-19-17(22)12(3)21-11-14(18)10-20-21/h6-8,10-12H,4-5,9H2,1-3H3,(H,19,22)
InChIKeyANHJJSWVUWPWBN-UHFFFAOYSA-N
MW396.29 g/mol
LogP3.32
Rot. Bonds8

About 2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide

2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide (PubChem CID 19537609) has the molecular formula C17H22BrN3O3 and a molecular weight of 396.29 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide
PubChem CID19537609
Molecular FormulaC17H22BrN3O3
Molecular Weight396.29 g/mol
Exact Mass395.08
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide
SMILESCCOc1ccc(CNC(=O)C(C)n2cc(Br)cn2)cc1OCC
InChIInChI=1S/C17H22BrN3O3/c1-4-23-15-7-6-13(8-16(15)24-5-2)9-19-17(22)12(3)21-11-14(18)10-20-21/h6-8,10-12H,4-5,9H2,1-3H3,(H,19,22)
InChIKeyANHJJSWVUWPWBN-UHFFFAOYSA-N
XLogP3.32
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]butanamide
CID 19551375
2-(4-chloropyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide
CID 19538530
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide
CID 19533439
N-[(3,4-diethoxyphenyl)methyl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19562533
N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 134060511
2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide
CID 56725410
N-[(3,4-diethoxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474027
4-chloro-N-[(3,4-diethoxyphenyl)methyl]-1-ethylpyrazole-3-carboxamide
CID 19263382
N-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide
CID 43907670
N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19537035
N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide
CID 132655758
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-bromopyrazol-1-yl)propanamide
CID 19284399

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide (CID 19537609) is 2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide is CCOc1ccc(CNC(=O)C(C)n2cc(Br)cn2)cc1OCC.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide?
The InChIKey is ANHJJSWVUWPWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O3/c1-4-23-15-7-6-13(8-16(15)24-5-2)9-19-17(22)12(3)21-11-14(18)10-20-21/h6-8,10-12H,4-5,9H2,1-3H3,(H,19,22).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide?
2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide has a molecular weight of 396.29 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[(3,4-diethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 19537609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).