4-[(3,4-dimethylphenoxy)methyl]-N,1,3-trimethylpyrazol-5-amine

C15H21N3O — CID 55045017

IUPAC4-[(3,4-dimethylphenoxy)methyl]-N,1,3-trimethylpyrazol-5-amine
SMILESCNc1c(COc2ccc(C)c(C)c2)c(C)nn1C
InChIInChI=1S/C15H21N3O/c1-10-6-7-13(8-11(10)2)19-9-14-12(3)17-18(5)15(14)16-4/h6-8,16H,9H2,1-5H3
InChIKeyHVMCVMXOCMIQQU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.97
Rot. Bonds4

About 4-[(3,4-dimethylphenoxy)methyl]-N,1,3-trimethylpyrazol-5-amine

4-[(3,4-dimethylphenoxy)methyl]-N,1,3-trimethylpyrazol-5-amine (PubChem CID 55045017) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenoxy)methyl]-N,1,3-trimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(3,4-dimethylphenoxy)methyl]-N,1,3-trimethylpyrazol-5-amine
PubChem CID55045017
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[(3,4-dimethylphenoxy)methyl]-N,1,3-trimethylpyrazol-5-amine
SMILESCNc1c(COc2ccc(C)c(C)c2)c(C)nn1C
InChIInChI=1S/C15H21N3O/c1-10-6-7-13(8-11(10)2)19-9-14-12(3)17-18(5)15(14)16-4/h6-8,16H,9H2,1-5H3
InChIKeyHVMCVMXOCMIQQU-UHFFFAOYSA-N
XLogP2.97
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine
CID 62194237
[1,3-dimethyl-4-[(3-methylphenoxy)methyl]pyrazol-5-yl]hydrazine
CID 62244686
N-[[5-(3,4-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43283039
1,3-dichloro-2-[(3,4-dimethylphenoxy)methyl]benzene
CID 925878
1,3-dimethyl-4-[(4-methylphenoxy)methyl]pyrazol-5-amine
CID 62195674
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
N,1,3-trimethyl-4-[(2-methylcyclohexyl)oxymethyl]pyrazol-5-amine
CID 55044598
1,2-dimethyl-4-propoxybenzene
CID 23549082
4-[(4-chloro-3-ethylphenoxy)methyl]-1,3-dimethylpyrazol-5-amine
CID 55044844
5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-2-methylaniline
CID 114252449
6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1-benzofuran-3-one
CID 115582303
N,1,3-trimethyl-4-(methylsulfanylmethyl)pyrazol-5-amine
CID 62189145

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-N,1,3-trimethylpyrazol-5-amine?
The IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-N,1,3-trimethylpyrazol-5-amine (CID 55045017) is 4-[(3,4-dimethylphenoxy)methyl]-N,1,3-trimethylpyrazol-5-amine.
What is the SMILES notation for 4-[(3,4-dimethylphenoxy)methyl]-N,1,3-trimethylpyrazol-5-amine?
The canonical SMILES for 4-[(3,4-dimethylphenoxy)methyl]-N,1,3-trimethylpyrazol-5-amine is CNc1c(COc2ccc(C)c(C)c2)c(C)nn1C.
What is the InChIKey of 4-[(3,4-dimethylphenoxy)methyl]-N,1,3-trimethylpyrazol-5-amine?
The InChIKey is HVMCVMXOCMIQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-6-7-13(8-11(10)2)19-9-14-12(3)17-18(5)15(14)16-4/h6-8,16H,9H2,1-5H3.
What are the key properties of 4-[(3,4-dimethylphenoxy)methyl]-N,1,3-trimethylpyrazol-5-amine?
4-[(3,4-dimethylphenoxy)methyl]-N,1,3-trimethylpyrazol-5-amine has a molecular weight of 259.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenoxy)methyl]-N,1,3-trimethylpyrazol-5-amine is sourced from PubChem (CID 55045017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).