N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline

C16H23N3O — CID 79579422

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
SMILESCc1c(CNc2ccccc2OCC(C)C)cnn1C
InChIInChI=1S/C16H23N3O/c1-12(2)11-20-16-8-6-5-7-15(16)17-9-14-10-18-19(4)13(14)3/h5-8,10,12,17H,9,11H2,1-4H3
InChIKeyJITHHVSHTOCHHS-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.38
Rot. Bonds6

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline (PubChem CID 79579422) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
PubChem CID79579422
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
SMILESCc1c(CNc2ccccc2OCC(C)C)cnn1C
InChIInChI=1S/C16H23N3O/c1-12(2)11-20-16-8-6-5-7-15(16)17-9-14-10-18-19(4)13(14)3/h5-8,10,12,17H,9,11H2,1-4H3
InChIKeyJITHHVSHTOCHHS-UHFFFAOYSA-N
XLogP3.38
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline
CID 63453225
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-(2-methylpropoxy)aniline
CID 54800105
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[3-methoxy-4-(2-methylpropoxy)phenyl]methanamine
CID 19623119
2-(2-methylpropoxy)-N-(pyridin-2-ylmethyl)aniline
CID 54864900
2-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)aniline
CID 54864920
N-[(1-ethenylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
CID 106936522
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-iodo-2-methylaniline
CID 113368513
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 79578369
N-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine
CID 103858286
N-[(3-ethylimidazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
CID 66135063
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
CID 60936477
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 106048174

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline (CID 79579422) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline is Cc1c(CNc2ccccc2OCC(C)C)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline?
The InChIKey is JITHHVSHTOCHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)11-20-16-8-6-5-7-15(16)17-9-14-10-18-19(4)13(14)3/h5-8,10,12,17H,9,11H2,1-4H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline has a molecular weight of 273.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline is sourced from PubChem (CID 79579422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).