5-N-[1-(2-methoxyphenyl)propan-2-yl]-5-N,1,3-trimethylpyrazole-4,5-diamine

C16H24N4O — CID 65485261

IUPAC5-N-[1-(2-methoxyphenyl)propan-2-yl]-5-N,1,3-trimethylpyrazole-4,5-diamine
SMILESCOc1ccccc1CC(C)N(C)c1c(N)c(C)nn1C
InChIInChI=1S/C16H24N4O/c1-11(10-13-8-6-7-9-14(13)21-5)19(3)16-15(17)12(2)18-20(16)4/h6-9,11H,10,17H2,1-5H3
InChIKeyWSRKCPMPFAYULC-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.39
Rot. Bonds5

About 5-N-[1-(2-methoxyphenyl)propan-2-yl]-5-N,1,3-trimethylpyrazole-4,5-diamine

5-N-[1-(2-methoxyphenyl)propan-2-yl]-5-N,1,3-trimethylpyrazole-4,5-diamine (PubChem CID 65485261) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-N-[1-(2-methoxyphenyl)propan-2-yl]-5-N,1,3-trimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[1-(2-methoxyphenyl)propan-2-yl]-5-N,1,3-trimethylpyrazole-4,5-diamine
PubChem CID65485261
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name5-N-[1-(2-methoxyphenyl)propan-2-yl]-5-N,1,3-trimethylpyrazole-4,5-diamine
SMILESCOc1ccccc1CC(C)N(C)c1c(N)c(C)nn1C
InChIInChI=1S/C16H24N4O/c1-11(10-13-8-6-7-9-14(13)21-5)19(3)16-15(17)12(2)18-20(16)4/h6-9,11H,10,17H2,1-5H3
InChIKeyWSRKCPMPFAYULC-UHFFFAOYSA-N
XLogP2.39
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[1-(2-methoxyphenyl)propan-2-yl]-2-N-methylpyrazine-2,5-diamine
CID 80653405
2-[(4-amino-1,3-dimethylpyrazol-5-yl)-methylamino]propan-1-ol
CID 104551141
4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80829895
4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyridine-3,4-diamine
CID 65485063
2-(aminomethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyridin-4-amine
CID 65484470
4-iodo-1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbenzene-1,2-diamine
CID 66080150
2-(2-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105081597
ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate
CID 65486472
2-iodo-1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbenzene-1,4-diamine
CID 66092748
5-bromo-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpyrimidine-2,4-diamine
CID 80829894
3-amino-2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propan-1-ol
CID 104711070
5-[(2-methoxyphenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbaldehyde
CID 61417546

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(2-methoxyphenyl)propan-2-yl]-5-N,1,3-trimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[1-(2-methoxyphenyl)propan-2-yl]-5-N,1,3-trimethylpyrazole-4,5-diamine (CID 65485261) is 5-N-[1-(2-methoxyphenyl)propan-2-yl]-5-N,1,3-trimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[1-(2-methoxyphenyl)propan-2-yl]-5-N,1,3-trimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[1-(2-methoxyphenyl)propan-2-yl]-5-N,1,3-trimethylpyrazole-4,5-diamine is COc1ccccc1CC(C)N(C)c1c(N)c(C)nn1C.
What is the InChIKey of 5-N-[1-(2-methoxyphenyl)propan-2-yl]-5-N,1,3-trimethylpyrazole-4,5-diamine?
The InChIKey is WSRKCPMPFAYULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11(10-13-8-6-7-9-14(13)21-5)19(3)16-15(17)12(2)18-20(16)4/h6-9,11H,10,17H2,1-5H3.
What are the key properties of 5-N-[1-(2-methoxyphenyl)propan-2-yl]-5-N,1,3-trimethylpyrazole-4,5-diamine?
5-N-[1-(2-methoxyphenyl)propan-2-yl]-5-N,1,3-trimethylpyrazole-4,5-diamine has a molecular weight of 288.39 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(2-methoxyphenyl)propan-2-yl]-5-N,1,3-trimethylpyrazole-4,5-diamine is sourced from PubChem (CID 65485261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).