2-[(3-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine

C16H23N3O — CID 62515952

IUPAC2-[(3-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNCC(Cc1cccc(OC)c1)Cc1cnn(C)c1
InChIInChI=1S/C16H23N3O/c1-17-10-14(8-15-11-18-19(2)12-15)7-13-5-4-6-16(9-13)20-3/h4-6,9,11-12,14,17H,7-8,10H2,1-3H3
InChIKeyHTVPJRXMFBYYHW-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.05
Rot. Bonds7

About 2-[(3-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine

2-[(3-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 62515952) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID62515952
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[(3-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNCC(Cc1cccc(OC)c1)Cc1cnn(C)c1
InChIInChI=1S/C16H23N3O/c1-17-10-14(8-15-11-18-19(2)12-15)7-13-5-4-6-16(9-13)20-3/h4-6,9,11-12,14,17H,7-8,10H2,1-3H3
InChIKeyHTVPJRXMFBYYHW-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105191715
N-methyl-2-[(2-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62515440
2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014288
2-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)propan-1-ol
CID 66060151
(2S)-2-[[(3-methoxyphenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 97075482
N-ethyl-2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107053022
2-benzyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62725650
1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 60945948
1-[3-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
CID 54928885
2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052825
(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001791
N,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62530457

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 62515952) is 2-[(3-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine is CNCC(Cc1cccc(OC)c1)Cc1cnn(C)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is HTVPJRXMFBYYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-17-10-14(8-15-11-18-19(2)12-15)7-13-5-4-6-16(9-13)20-3/h4-6,9,11-12,14,17H,7-8,10H2,1-3H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
2-[(3-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 62515952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).