1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine

C15H21N3O — CID 103673603

IUPAC1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
SMILESCCCn1cc(CNCc2ccccc2OC)cn1
InChIInChI=1S/C15H21N3O/c1-3-8-18-12-13(10-17-18)9-16-11-14-6-4-5-7-15(14)19-2/h4-7,10,12,16H,3,8-9,11H2,1-2H3
InChIKeyXEOCSBBAVAPUHC-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.59
Rot. Bonds7

About 1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine

1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine (PubChem CID 103673603) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
PubChem CID103673603
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
SMILESCCCn1cc(CNCc2ccccc2OC)cn1
InChIInChI=1S/C15H21N3O/c1-3-8-18-12-13(10-17-18)9-16-11-14-6-4-5-7-15(14)19-2/h4-7,10,12,16H,3,8-9,11H2,1-2H3
InChIKeyXEOCSBBAVAPUHC-UHFFFAOYSA-N
XLogP2.59
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1-propylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126965886
1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966319
2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 106259621
1-(2,3-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122168314
N-[[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62730862
1-(2,5-difluorophenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674451
1-(1-ethylpyrazol-4-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 122166789
2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966390
2-methoxy-2-methyl-N-[(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115656313
1-(2-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]methanamine
CID 62757557
N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine
CID 19624929
1-(2-methylpyrazol-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674015

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine (CID 103673603) is 1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine is CCCn1cc(CNCc2ccccc2OC)cn1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine?
The InChIKey is XEOCSBBAVAPUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-8-18-12-13(10-17-18)9-16-11-14-6-4-5-7-15(14)19-2/h4-7,10,12,16H,3,8-9,11H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine?
1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 103673603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).