5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine

C14H20N4O — CID 61420309

IUPAC5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine
SMILESCOc1cccc(CN(C)c2c(N)c(C)nn2C)c1
InChIInChI=1S/C14H20N4O/c1-10-13(15)14(18(3)16-10)17(2)9-11-6-5-7-12(8-11)19-4/h5-8H,9,15H2,1-4H3
InChIKeyCLLOJPPDZOYUAM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.96
Rot. Bonds4

About 5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine

5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine (PubChem CID 61420309) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine
PubChem CID61420309
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine
SMILESCOc1cccc(CN(C)c2c(N)c(C)nn2C)c1
InChIInChI=1S/C14H20N4O/c1-10-13(15)14(18(3)16-10)17(2)9-11-6-5-7-12(8-11)19-4/h5-8H,9,15H2,1-4H3
InChIKeyCLLOJPPDZOYUAM-UHFFFAOYSA-N
XLogP1.96
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[(4-methoxyphenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
CID 66027633
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine
CID 61420405
4-N-[(3-methoxyphenyl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80794623
5-N,1,3-trimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
CID 43564929
5-N-[(3-fluorophenyl)methyl]-5-N,3-dimethyl-1-propylpyrazole-4,5-diamine
CID 66028752
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 171328455
4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N,5,6-trimethylpyridazin-3-amine
CID 61420063
5-N-(3-methoxyphenyl)-1,3-dimethylpyrazole-4,5-diamine
CID 43554187
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61418042
5-amino-2-[(3-methoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 61420357
N'-hydroxy-1,3-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]pyrazole-4-carboximidamide
CID 76951971

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine (CID 61420309) is 5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine is COc1cccc(CN(C)c2c(N)c(C)nn2C)c1.
What is the InChIKey of 5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine?
The InChIKey is CLLOJPPDZOYUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10-13(15)14(18(3)16-10)17(2)9-11-6-5-7-12(8-11)19-4/h5-8H,9,15H2,1-4H3.
What are the key properties of 5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine?
5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine is sourced from PubChem (CID 61420309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).