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

C16H23N3O — CID 115465138

IUPACN-[2-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]ethyl]propan-2-amine
SMILESCc1cc(OCc2ccccc2CCNC(C)C)n[nH]1
InChIInChI=1S/C16H23N3O/c1-12(2)17-9-8-14-6-4-5-7-15(14)11-20-16-10-13(3)18-19-16/h4-7,10,12,17H,8-9,11H2,1-3H3,(H,18,19)
InChIKeyACEFPKUWMMJPCX-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.84
Rot. Bonds7

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

N-[2-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]ethyl]propan-2-amine (PubChem CID 115465138) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]ethyl]propan-2-amine
PubChem CID115465138
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[2-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]ethyl]propan-2-amine
SMILESCc1cc(OCc2ccccc2CCNC(C)C)n[nH]1
InChIInChI=1S/C16H23N3O/c1-12(2)17-9-8-14-6-4-5-7-15(14)11-20-16-10-13(3)18-19-16/h4-7,10,12,17H,8-9,11H2,1-3H3,(H,18,19)
InChIKeyACEFPKUWMMJPCX-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methanamine
CID 81341305
N-[2-[2-(ethoxymethyl)phenyl]ethyl]propan-2-amine
CID 115464510
N-[2-[2-(2-methylpentoxymethyl)phenyl]ethyl]propan-2-amine
CID 103285683
N-[2-[2-(2-propoxyethoxymethyl)phenyl]ethyl]propan-2-amine
CID 115465016
N-[[3-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]ethanamine
CID 81341598
2-methyl-N-[[4-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]methyl]propan-1-amine
CID 81342245
N-[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]ethyl]propan-1-amine
CID 81341286
2,2-dimethyl-N-(2-methylpropyl)-3-[(5-methyl-1H-pyrazol-3-yl)oxy]propan-1-amine
CID 81341307
N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]-2-pyridinyl]methyl]propan-1-amine
CID 106908531
N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine
CID 115464540
3-ethoxy-5-methyl-1H-pyrazole;hydrochloride
CID 53398899
N-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 81342343

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]ethyl]propan-2-amine (CID 115465138) is N-[2-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]ethyl]propan-2-amine is Cc1cc(OCc2ccccc2CCNC(C)C)n[nH]1.
What is the InChIKey of N-[2-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]ethyl]propan-2-amine?
The InChIKey is ACEFPKUWMMJPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)17-9-8-14-6-4-5-7-15(14)11-20-16-10-13(3)18-19-16/h4-7,10,12,17H,8-9,11H2,1-3H3,(H,18,19).
What are the key properties of N-[2-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]ethyl]propan-2-amine?
N-[2-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]ethyl]propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 115465138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).