2-methyl-N-[[4-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine

C16H23N3O — CID 81342245

IUPAC2-methyl-N-[[4-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine
SMILESCc1cc(OCc2ccc(CNCC(C)C)cc2)n[nH]1
InChIInChI=1S/C16H23N3O/c1-12(2)9-17-10-14-4-6-15(7-5-14)11-20-16-8-13(3)18-19-16/h4-8,12,17H,9-11H2,1-3H3,(H,18,19)
InChIKeySKLYYZGNMKCJJA-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.04
Rot. Bonds7

About 2-methyl-N-[[4-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine

2-methyl-N-[[4-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine (PubChem CID 81342245) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-methyl-N-[[4-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine
PubChem CID81342245
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-methyl-N-[[4-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine
SMILESCc1cc(OCc2ccc(CNCC(C)C)cc2)n[nH]1
InChIInChI=1S/C16H23N3O/c1-12(2)9-17-10-14-4-6-15(7-5-14)11-20-16-8-13(3)18-19-16/h4-8,12,17H,9-11H2,1-3H3,(H,18,19)
InChIKeySKLYYZGNMKCJJA-UHFFFAOYSA-N
XLogP3.04
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine (CID 81342245) is 2-methyl-N-[[4-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine is Cc1cc(OCc2ccc(CNCC(C)C)cc2)n[nH]1.
What is the InChIKey of 2-methyl-N-[[4-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine?
The InChIKey is SKLYYZGNMKCJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)9-17-10-14-4-6-15(7-5-14)11-20-16-8-13(3)18-19-16/h4-8,12,17H,9-11H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-N-[[4-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine?
2-methyl-N-[[4-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 81342245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).