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

C13H16BrN3O2 — CID 116826014

IUPAC4-bromo-5-(2,5-dimethoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine
SMILESCOc1ccc(OC)c(-c2[nH]nc(N(C)C)c2Br)c1
InChIInChI=1S/C13H16BrN3O2/c1-17(2)13-11(14)12(15-16-13)9-7-8(18-3)5-6-10(9)19-4/h5-7H,1-4H3,(H,15,16)
InChIKeySTXMLBDUBHZNQO-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.92
Rot. Bonds4

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

4-bromo-5-(2,5-dimethoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine (PubChem CID 116826014) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is 4-bromo-5-(2,5-dimethoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-(2,5-dimethoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine
PubChem CID116826014
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name4-bromo-5-(2,5-dimethoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine
SMILESCOc1ccc(OC)c(-c2[nH]nc(N(C)C)c2Br)c1
InChIInChI=1S/C13H16BrN3O2/c1-17(2)13-11(14)12(15-16-13)9-7-8(18-3)5-6-10(9)19-4/h5-7H,1-4H3,(H,15,16)
InChIKeySTXMLBDUBHZNQO-UHFFFAOYSA-N
XLogP2.92
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-(2-methoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine
CID 116826092
4-bromo-5-(3,4-dimethoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine
CID 116826012
6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid
CID 94313799
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82302593
4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
CID 75359779
2-(2,5-dimethoxyphenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid
CID 82169256
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine
CID 66313783
5-azido-3-(2,5-dimethoxyphenyl)-1H-pyrazole
CID 136926401
4-[7-bromo-2-(2,5-dimethoxyphenyl)-1H-indol-3-yl]butan-1-amine
CID 3259628
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262
2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole
CID 82083376

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2,5-dimethoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine?
The IUPAC name of 4-bromo-5-(2,5-dimethoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine (CID 116826014) is 4-bromo-5-(2,5-dimethoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-bromo-5-(2,5-dimethoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-bromo-5-(2,5-dimethoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine is COc1ccc(OC)c(-c2[nH]nc(N(C)C)c2Br)c1.
What is the InChIKey of 4-bromo-5-(2,5-dimethoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine?
The InChIKey is STXMLBDUBHZNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-17(2)13-11(14)12(15-16-13)9-7-8(18-3)5-6-10(9)19-4/h5-7H,1-4H3,(H,15,16).
What are the key properties of 4-bromo-5-(2,5-dimethoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine?
4-bromo-5-(2,5-dimethoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine has a molecular weight of 326.19 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2,5-dimethoxyphenyl)-N,N-dimethyl-1H-pyrazol-3-amine is sourced from PubChem (CID 116826014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).