5-N-(3-bromo-4-methoxyphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine

C13H17BrN4O — CID 66012288

IUPAC5-N-(3-bromo-4-methoxyphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1Nc1ccc(OC)c(Br)c1
InChIInChI=1S/C13H17BrN4O/c1-4-18-13(12(15)8(2)17-18)16-9-5-6-11(19-3)10(14)7-9/h5-7,16H,4,15H2,1-3H3
InChIKeyQRCNVOMTGNXGDM-UHFFFAOYSA-N
MW325.21 g/mol
LogP3.31
Rot. Bonds4

About 5-N-(3-bromo-4-methoxyphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine

5-N-(3-bromo-4-methoxyphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine (PubChem CID 66012288) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is 5-N-(3-bromo-4-methoxyphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(3-bromo-4-methoxyphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine
PubChem CID66012288
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name5-N-(3-bromo-4-methoxyphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1Nc1ccc(OC)c(Br)c1
InChIInChI=1S/C13H17BrN4O/c1-4-18-13(12(15)8(2)17-18)16-9-5-6-11(19-3)10(14)7-9/h5-7,16H,4,15H2,1-3H3
InChIKeyQRCNVOMTGNXGDM-UHFFFAOYSA-N
XLogP3.31
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(3,4-dimethylphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012411
5-N-(3-bromo-4-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66028825
5-N-(2,4-dibromo-5-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 103410774
1-ethyl-3-methyl-5-N-(4-propylphenyl)pyrazole-4,5-diamine
CID 66013596
4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-3-methoxybenzonitrile
CID 104847922
5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027995
1-ethyl-5-N-(4-methoxy-2-methylphenyl)-3-methylpyrazole-4,5-diamine
CID 66012072
3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]benzonitrile
CID 66012800
1-ethyl-3-methyl-5-N-(4-pyrrolidin-1-ylphenyl)pyrazole-4,5-diamine
CID 66011298
2-[4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]phenyl]acetonitrile
CID 66013634
4-amino-1-ethyl-N-(4-methoxy-3-methylphenyl)-3-methylpyrazole-5-carboxamide
CID 66123117
4-N-(3-bromo-4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 80846996

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-bromo-4-methoxyphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(3-bromo-4-methoxyphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine (CID 66012288) is 5-N-(3-bromo-4-methoxyphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(3-bromo-4-methoxyphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(3-bromo-4-methoxyphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine is CCn1nc(C)c(N)c1Nc1ccc(OC)c(Br)c1.
What is the InChIKey of 5-N-(3-bromo-4-methoxyphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
The InChIKey is QRCNVOMTGNXGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-4-18-13(12(15)8(2)17-18)16-9-5-6-11(19-3)10(14)7-9/h5-7,16H,4,15H2,1-3H3.
What are the key properties of 5-N-(3-bromo-4-methoxyphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine?
5-N-(3-bromo-4-methoxyphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine has a molecular weight of 325.21 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-bromo-4-methoxyphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66012288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).