2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide

C17H18BrN5O2 — CID 19524745

IUPAC2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide
SMILESCc1ccc(OCn2cc(NC(=O)Cn3cc(Br)cn3)cn2)c(C)c1
InChIInChI=1S/C17H18BrN5O2/c1-12-3-4-16(13(2)5-12)25-11-23-9-15(7-20-23)21-17(24)10-22-8-14(18)6-19-22/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyGCVCWOWPKQJFCO-UHFFFAOYSA-N
MW404.27 g/mol
LogP3.13
Rot. Bonds6

About 2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide

2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide (PubChem CID 19524745) has the molecular formula C17H18BrN5O2 and a molecular weight of 404.27 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide
PubChem CID19524745
Molecular FormulaC17H18BrN5O2
Molecular Weight404.27 g/mol
Exact Mass403.06
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide
SMILESCc1ccc(OCn2cc(NC(=O)Cn3cc(Br)cn3)cn2)c(C)c1
InChIInChI=1S/C17H18BrN5O2/c1-12-3-4-16(13(2)5-12)25-11-23-9-15(7-20-23)21-17(24)10-22-8-14(18)6-19-22/h3-9H,10-11H2,1-2H3,(H,21,24)
InChIKeyGCVCWOWPKQJFCO-UHFFFAOYSA-N
XLogP3.13
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]butanamide
CID 19551481
3-(4-chloropyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]propanamide
CID 19539672
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1-methylpyrazole-4-carboxamide
CID 19474706
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide
CID 19526260
2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide
CID 19524132
2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide
CID 60865505
N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide
CID 47263148
N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480845
1-[(2-chlorophenoxy)methyl]-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19265323
2-(4-bromopyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 47263262
1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-amine
CID 7017256
3-(2,4-dichlorophenyl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19510167

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide (CID 19524745) is 2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide is Cc1ccc(OCn2cc(NC(=O)Cn3cc(Br)cn3)cn2)c(C)c1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide?
The InChIKey is GCVCWOWPKQJFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O2/c1-12-3-4-16(13(2)5-12)25-11-23-9-15(7-20-23)21-17(24)10-22-8-14(18)6-19-22/h3-9H,10-11H2,1-2H3,(H,21,24).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide?
2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide has a molecular weight of 404.27 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 19524745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).