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

C16H23N3O — CID 62447636

IUPACN-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
SMILESCc1cnn(CCOc2ccc(CNC(C)C)cc2)c1
InChIInChI=1S/C16H23N3O/c1-13(2)17-11-15-4-6-16(7-5-15)20-9-8-19-12-14(3)10-18-19/h4-7,10,12-13,17H,8-9,11H2,1-3H3
InChIKeyGBTHPOZUXLKIIC-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.77
Rot. Bonds7

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

N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine (PubChem CID 62447636) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
PubChem CID62447636
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
SMILESCc1cnn(CCOc2ccc(CNC(C)C)cc2)c1
InChIInChI=1S/C16H23N3O/c1-13(2)17-11-15-4-6-16(7-5-15)20-9-8-19-12-14(3)10-18-19/h4-7,10,12-13,17H,8-9,11H2,1-3H3
InChIKeyGBTHPOZUXLKIIC-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62440381
2-methyl-N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62447638
2-[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]ethanamine
CID 60874221
N-[[4-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802269
(2R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95290592
1-[2-(3-fluoro-4-methylphenoxy)ethyl]-4-methylpyrazole
CID 114279121
2-(4-methylpyrazol-1-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 56780994
N-[[4-[2-(4-chloropyrazol-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 55073469
N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116793098
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
N-[[4-fluoro-3-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 107456506
N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 62294736

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine (CID 62447636) is N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine is Cc1cnn(CCOc2ccc(CNC(C)C)cc2)c1.
What is the InChIKey of N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine?
The InChIKey is GBTHPOZUXLKIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(2)17-11-15-4-6-16(7-5-15)20-9-8-19-12-14(3)10-18-19/h4-7,10,12-13,17H,8-9,11H2,1-3H3.
What are the key properties of N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine?
N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62447636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).