2-[4-[(1-propylpyrazol-4-yl)oxymethyl]phenyl]propan-1-amine

C16H23N3O — CID 105351322

IUPAC2-[4-[(1-propylpyrazol-4-yl)oxymethyl]phenyl]propan-1-amine
SMILESCCCn1cc(OCc2ccc(C(C)CN)cc2)cn1
InChIInChI=1S/C16H23N3O/c1-3-8-19-11-16(10-18-19)20-12-14-4-6-15(7-5-14)13(2)9-17/h4-7,10-11,13H,3,8-9,12,17H2,1-2H3
InChIKeyLKWZMLXQUPFVIU-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.93
Rot. Bonds7

About 2-[4-[(1-propylpyrazol-4-yl)oxymethyl]phenyl]propan-1-amine

2-[4-[(1-propylpyrazol-4-yl)oxymethyl]phenyl]propan-1-amine (PubChem CID 105351322) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[4-[(1-propylpyrazol-4-yl)oxymethyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[4-[(1-propylpyrazol-4-yl)oxymethyl]phenyl]propan-1-amine
PubChem CID105351322
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[4-[(1-propylpyrazol-4-yl)oxymethyl]phenyl]propan-1-amine
SMILESCCCn1cc(OCc2ccc(C(C)CN)cc2)cn1
InChIInChI=1S/C16H23N3O/c1-3-8-19-11-16(10-18-19)20-12-14-4-6-15(7-5-14)13(2)9-17/h4-7,10-11,13H,3,8-9,12,17H2,1-2H3
InChIKeyLKWZMLXQUPFVIU-UHFFFAOYSA-N
XLogP2.93
TPSA53.07 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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]-N-methylpropan-1-amine
CID 105351313
2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine
CID 105350533
2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine
CID 105350465
2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine
CID 105350241
1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole
CID 116804941
4-propoxy-1-propylpyrazole
CID 116805185
6-[(1-propylpyrazol-4-yl)oxymethyl]quinoline
CID 116804981
4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline
CID 114608509
2-fluoro-5-[(1-propylpyrazol-4-yl)oxymethyl]benzoic acid
CID 107881276
4-[2-(bromomethyl)-3-methylbutoxy]-1-propylpyrazole
CID 116800925
2,2-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
CID 116803544
[3-[(1-propylpyrazol-4-yl)oxymethyl]-1-benzofuran-2-yl]methanamine
CID 116803468

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-propylpyrazol-4-yl)oxymethyl]phenyl]propan-1-amine?
The IUPAC name of 2-[4-[(1-propylpyrazol-4-yl)oxymethyl]phenyl]propan-1-amine (CID 105351322) is 2-[4-[(1-propylpyrazol-4-yl)oxymethyl]phenyl]propan-1-amine.
What is the SMILES notation for 2-[4-[(1-propylpyrazol-4-yl)oxymethyl]phenyl]propan-1-amine?
The canonical SMILES for 2-[4-[(1-propylpyrazol-4-yl)oxymethyl]phenyl]propan-1-amine is CCCn1cc(OCc2ccc(C(C)CN)cc2)cn1.
What is the InChIKey of 2-[4-[(1-propylpyrazol-4-yl)oxymethyl]phenyl]propan-1-amine?
The InChIKey is LKWZMLXQUPFVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-8-19-11-16(10-18-19)20-12-14-4-6-15(7-5-14)13(2)9-17/h4-7,10-11,13H,3,8-9,12,17H2,1-2H3.
What are the key properties of 2-[4-[(1-propylpyrazol-4-yl)oxymethyl]phenyl]propan-1-amine?
2-[4-[(1-propylpyrazol-4-yl)oxymethyl]phenyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-propylpyrazol-4-yl)oxymethyl]phenyl]propan-1-amine is sourced from PubChem (CID 105351322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).