5-N-(2,4-dibromo-5-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine

C14H18Br2N4O — CID 103410774

IUPAC5-N-(2,4-dibromo-5-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1Nc1cc(OC)c(Br)cc1Br
InChIInChI=1S/C14H18Br2N4O/c1-4-5-20-14(13(17)8(2)19-20)18-11-7-12(21-3)10(16)6-9(11)15/h6-7,18H,4-5,17H2,1-3H3
InChIKeyOVMCTEWRVXBOGL-UHFFFAOYSA-N
MW418.13 g/mol
LogP4.46
Rot. Bonds5

About 5-N-(2,4-dibromo-5-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine

5-N-(2,4-dibromo-5-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine (PubChem CID 103410774) has the molecular formula C14H18Br2N4O and a molecular weight of 418.13 g/mol. Its IUPAC name is 5-N-(2,4-dibromo-5-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2,4-dibromo-5-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
PubChem CID103410774
Molecular FormulaC14H18Br2N4O
Molecular Weight418.13 g/mol
Exact Mass415.98
IUPAC Name5-N-(2,4-dibromo-5-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1Nc1cc(OC)c(Br)cc1Br
InChIInChI=1S/C14H18Br2N4O/c1-4-5-20-14(13(17)8(2)19-20)18-11-7-12(21-3)10(16)6-9(11)15/h6-7,18H,4-5,17H2,1-3H3
InChIKeyOVMCTEWRVXBOGL-UHFFFAOYSA-N
XLogP4.46
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.13
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(3-bromo-4-methoxyphenyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66012288
5-N-(3-bromo-4-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66028825
5-N-(3,4-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027995
5-N-(3-fluoro-5-methylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 79048395
5-N-(2,3-dichlorophenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027996
4-amino-N-(2,4-dibromo-5-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 103410503
4-N-(2,4-dibromo-5-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 103417170
4-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)amino]-3-methoxybenzonitrile
CID 104847922
2-N-(2,4-dibromo-5-methoxyphenyl)-6-methylpyridine-2,5-diamine
CID 103410626
1-ethyl-5-N-(4-methoxy-2-methylphenyl)-3-methylpyrazole-4,5-diamine
CID 66012072
5-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027035
1-butyl-N-(2,4-dibromo-5-methoxyphenyl)imidazol-2-amine
CID 106583543

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,4-dibromo-5-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2,4-dibromo-5-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine (CID 103410774) is 5-N-(2,4-dibromo-5-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2,4-dibromo-5-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2,4-dibromo-5-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine is CCCn1nc(C)c(N)c1Nc1cc(OC)c(Br)cc1Br.
What is the InChIKey of 5-N-(2,4-dibromo-5-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
The InChIKey is OVMCTEWRVXBOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N4O/c1-4-5-20-14(13(17)8(2)19-20)18-11-7-12(21-3)10(16)6-9(11)15/h6-7,18H,4-5,17H2,1-3H3.
What are the key properties of 5-N-(2,4-dibromo-5-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine?
5-N-(2,4-dibromo-5-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine has a molecular weight of 418.13 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,4-dibromo-5-methoxyphenyl)-3-methyl-1-propylpyrazole-4,5-diamine is sourced from PubChem (CID 103410774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).