1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine

C14H19N3O — CID 54928885

IUPAC1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(OCc2cnn(C)c2)c1
InChIInChI=1S/C14H19N3O/c1-11(15)6-12-4-3-5-14(7-12)18-10-13-8-16-17(2)9-13/h3-5,7-9,11H,6,10,15H2,1-2H3
InChIKeyWQXFDYNGZHTINS-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.89
Rot. Bonds5

About 1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine

1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine (PubChem CID 54928885) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
PubChem CID54928885
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1cccc(OCc2cnn(C)c2)c1
InChIInChI=1S/C14H19N3O/c1-11(15)6-12-4-3-5-14(7-12)18-10-13-8-16-17(2)9-13/h3-5,7-9,11H,6,10,15H2,1-2H3
InChIKeyWQXFDYNGZHTINS-UHFFFAOYSA-N
XLogP1.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]butan-2-amine
CID 54928987
2-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 54930677
4-[(3-bromophenoxy)methyl]-1-methylpyrazole
CID 28782443
1-[3-(pyrimidin-2-ylmethoxy)phenyl]propan-2-amine
CID 62699214
N-[1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60888002
1-[3-ethoxy-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
CID 60907055
1-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine
CID 54929076
2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 62125617
1-[3-(2-methylpropoxy)phenyl]propan-2-amine
CID 60907864
1-methyl-4-phenylmethoxypyrazole
CID 84661432
(2R)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-amine
CID 56989773
N-[[3-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999603

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine (CID 54928885) is 1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine is CC(N)Cc1cccc(OCc2cnn(C)c2)c1.
What is the InChIKey of 1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine?
The InChIKey is WQXFDYNGZHTINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(15)6-12-4-3-5-14(7-12)18-10-13-8-16-17(2)9-13/h3-5,7-9,11H,6,10,15H2,1-2H3.
What are the key properties of 1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine?
1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 54928885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).