N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline

C16H23N3O — CID 60936477

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
SMILESCc1n[nH]c(C)c1CNc1ccccc1OCC(C)C
InChIInChI=1S/C16H23N3O/c1-11(2)10-20-16-8-6-5-7-15(16)17-9-14-12(3)18-19-13(14)4/h5-8,11,17H,9-10H2,1-4H3,(H,18,19)
InChIKeyFSGMXWOVEFOZOM-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.67
Rot. Bonds6

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline (PubChem CID 60936477) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
PubChem CID60936477
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
SMILESCc1n[nH]c(C)c1CNc1ccccc1OCC(C)C
InChIInChI=1S/C16H23N3O/c1-11(2)10-20-16-8-6-5-7-15(16)17-9-14-12(3)18-19-13(14)4/h5-8,11,17H,9-10H2,1-4H3,(H,18,19)
InChIKeyFSGMXWOVEFOZOM-UHFFFAOYSA-N
XLogP3.67
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline (CID 60936477) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline is Cc1n[nH]c(C)c1CNc1ccccc1OCC(C)C.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline?
The InChIKey is FSGMXWOVEFOZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)10-20-16-8-6-5-7-15(16)17-9-14-12(3)18-19-13(14)4/h5-8,11,17H,9-10H2,1-4H3,(H,18,19).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline has a molecular weight of 273.38 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline is sourced from PubChem (CID 60936477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).