4-bromo-5-(2-methoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine

C12H14BrN3O — CID 116826092

IUPAC4-bromo-5-(2-methoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine
SMILESCOc1ccccc1-c1[nH]nc(N(C)C)c1Br
InChIInChI=1S/C12H14BrN3O/c1-16(2)12-10(13)11(14-15-12)8-6-4-5-7-9(8)17-3/h4-7H,1-3H3,(H,14,15)
InChIKeyYVOVPLLPZBHSPZ-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.91
Rot. Bonds3

About 4-bromo-5-(2-methoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine

4-bromo-5-(2-methoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine (PubChem CID 116826092) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 4-bromo-5-(2-methoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-(2-methoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine
PubChem CID116826092
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name4-bromo-5-(2-methoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine
SMILESCOc1ccccc1-c1[nH]nc(N(C)C)c1Br
InChIInChI=1S/C12H14BrN3O/c1-16(2)12-10(13)11(14-15-12)8-6-4-5-7-9(8)17-3/h4-7H,1-3H3,(H,14,15)
InChIKeyYVOVPLLPZBHSPZ-UHFFFAOYSA-N
XLogP2.91
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-5-(2,5-dimethoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine
CID 116826014
4-bromo-5-(3,4-dimethoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine
CID 116826012
5-bromo-4-(2-methoxyphenyl)-1H-pyrazole
CID 84707753
3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
CID 141182116
5-bromo-3-(2-methoxyphenyl)-1H-pyridazin-6-one
CID 117107083
5-(2-methoxyphenyl)-1H-pyrazol-4-amine;hydrochloride
CID 13303418
5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine
CID 107962588
5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 4067971
4-(2-methoxyphenyl)-5-methyl-1,3-dihydroimidazol-2-one
CID 105456048
N'-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303839
N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258
2-[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 136622086

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2-methoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine?
The IUPAC name of 4-bromo-5-(2-methoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine (CID 116826092) is 4-bromo-5-(2-methoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-bromo-5-(2-methoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-bromo-5-(2-methoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine is COc1ccccc1-c1[nH]nc(N(C)C)c1Br.
What is the InChIKey of 4-bromo-5-(2-methoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine?
The InChIKey is YVOVPLLPZBHSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-16(2)12-10(13)11(14-15-12)8-6-4-5-7-9(8)17-3/h4-7H,1-3H3,(H,14,15).
What are the key properties of 4-bromo-5-(2-methoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine?
4-bromo-5-(2-methoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine has a molecular weight of 296.17 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2-methoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine is sourced from PubChem (CID 116826092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).