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

C16H23N3O — CID 122166231

IUPAC1-(4-methoxyphenyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine
SMILESCCCn1cc(CNCc2ccc(OC)cc2)c(C)n1
InChIInChI=1S/C16H23N3O/c1-4-9-19-12-15(13(2)18-19)11-17-10-14-5-7-16(20-3)8-6-14/h5-8,12,17H,4,9-11H2,1-3H3
InChIKeyCXEXMSYIZQMSMC-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.90
Rot. Bonds7

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

1-(4-methoxyphenyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine (PubChem CID 122166231) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine
PubChem CID122166231
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(4-methoxyphenyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine
SMILESCCCn1cc(CNCc2ccc(OC)cc2)c(C)n1
InChIInChI=1S/C16H23N3O/c1-4-9-19-12-15(13(2)18-19)11-17-10-14-5-7-16(20-3)8-6-14/h5-8,12,17H,4,9-11H2,1-3H3
InChIKeyCXEXMSYIZQMSMC-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine
CID 122166228
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126965255
2-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 126965352
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126963926
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-[(4-methoxyphenyl)methyl]-1-propylpyrazol-3-amine
CID 122168625
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine
CID 19618925
2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol
CID 112705335
3-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167638
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(4-prop-2-enoxyphenyl)methanamine
CID 115989461
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-(3-methyl-1-propylpyrazol-4-yl)methanamine;hydrochloride
CID 126967612
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 19288632

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine (CID 122166231) is 1-(4-methoxyphenyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine is CCCn1cc(CNCc2ccc(OC)cc2)c(C)n1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine?
The InChIKey is CXEXMSYIZQMSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-9-19-12-15(13(2)18-19)11-17-10-14-5-7-16(20-3)8-6-14/h5-8,12,17H,4,9-11H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine?
1-(4-methoxyphenyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine has a molecular weight of 273.38 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 122166231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).