1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine

C13H17N3O — CID 19618961

IUPAC1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
SMILESCOc1ccc(CNCc2ccn(C)n2)cc1
InChIInChI=1S/C13H17N3O/c1-16-8-7-12(15-16)10-14-9-11-3-5-13(17-2)6-4-11/h3-8,14H,9-10H2,1-2H3
InChIKeyMMHLVBYZTOUEPW-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.72
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine

1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine (PubChem CID 19618961) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
PubChem CID19618961
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
SMILESCOc1ccc(CNCc2ccn(C)n2)cc1
InChIInChI=1S/C13H17N3O/c1-16-8-7-12(15-16)10-14-9-11-3-5-13(17-2)6-4-11/h3-8,14H,9-10H2,1-2H3
InChIKeyMMHLVBYZTOUEPW-UHFFFAOYSA-N
XLogP1.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618962
N-[(1-methylpyrazol-3-yl)methyl]-1-(4-pentoxyphenyl)methanamine
CID 82872963
2-methoxy-5-[[(1-methylpyrazol-3-yl)methylamino]methyl]benzonitrile
CID 115320187
2-methoxy-4-[[(1-methylpyrazol-3-yl)methylamino]methyl]benzonitrile
CID 106787787
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
(1S)-1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82867137
N-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626842
2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
CID 82881600
1-[3-methoxy-4-(2-methylpropoxy)phenyl]-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19623019
1-(4-methoxyphenyl)-N-(pyrazin-2-ylmethyl)methanamine
CID 62761074
2-(1-methylpyrazol-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 104626899
3-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 82882728

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine (CID 19618961) is 1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine is COc1ccc(CNCc2ccn(C)n2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine?
The InChIKey is MMHLVBYZTOUEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-8-7-12(15-16)10-14-9-11-3-5-13(17-2)6-4-11/h3-8,14H,9-10H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine?
1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 19618961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).