N-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine

C16H23N3O — CID 102999603

IUPACN-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(OCCc2cnn(C)c2)c1
InChIInChI=1S/C16H23N3O/c1-13(2)17-10-14-5-4-6-16(9-14)20-8-7-15-11-18-19(3)12-15/h4-6,9,11-13,17H,7-8,10H2,1-3H3
InChIKeyVBMOGYBAPKSIIP-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.54
Rot. Bonds7

About N-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine

N-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine (PubChem CID 102999603) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
PubChem CID102999603
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(OCCc2cnn(C)c2)c1
InChIInChI=1S/C16H23N3O/c1-13(2)17-10-14-5-4-6-16(9-14)20-8-7-15-11-18-19(3)12-15/h4-6,9,11-13,17H,7-8,10H2,1-3H3
InChIKeyVBMOGYBAPKSIIP-UHFFFAOYSA-N
XLogP2.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine
CID 39368943
N-[[3-bromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999740
N-[[3-fluoro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999952
N-methyl-1-[3-[2-(1-methylpyrazol-4-yl)oxyethoxy]phenyl]methanamine
CID 116793642
N-[[3-[(1-methylpyrazol-4-yl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 66349645
N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 60882800
N-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine
CID 116793338
N-[[3-(3-methylsulfanylpropoxy)phenyl]methyl]propan-2-amine
CID 113473285
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455428
1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
CID 54928885
2-[3-[[3-(1-methylpyrazol-4-yl)propanoylamino]methyl]phenoxy]acetic acid
CID 119246619
N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116793098

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine (CID 102999603) is N-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine is CC(C)NCc1cccc(OCCc2cnn(C)c2)c1.
What is the InChIKey of N-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine?
The InChIKey is VBMOGYBAPKSIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(2)17-10-14-5-4-6-16(9-14)20-8-7-15-11-18-19(3)12-15/h4-6,9,11-13,17H,7-8,10H2,1-3H3.
What are the key properties of N-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine?
N-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 102999603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).