1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine

C14H19N3O — CID 103008702

IUPAC1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCOc1ccc(C(N)CCc2cnn(C)c2)cc1
InChIInChI=1S/C14H19N3O/c1-17-10-11(9-16-17)3-8-14(15)12-4-6-13(18-2)7-5-12/h4-7,9-10,14H,3,8,15H2,1-2H3
InChIKeyOCZCRRBULSZEKW-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.06
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine

1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103008702) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103008702
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCOc1ccc(C(N)CCc2cnn(C)c2)cc1
InChIInChI=1S/C14H19N3O/c1-17-10-11(9-16-17)3-8-14(15)12-4-6-13(18-2)7-5-12/h4-7,9-10,14H,3,8,15H2,1-2H3
InChIKeyOCZCRRBULSZEKW-UHFFFAOYSA-N
XLogP2.06
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43124177
1-(4-methoxy-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011839
3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine
CID 103030188
1-(4-fluoro-3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029968
(1R)-1-(4-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001765
3-(4-methoxyphenyl)-1-(4-propylphenyl)propan-1-amine
CID 43099758
1-(5-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029878
1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009628
1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 62125918
3-(1-methylpyrazol-4-yl)-1-(4-methylthiadiazol-5-yl)propan-1-amine
CID 103029778
4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103012385
1-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine;hydrochloride
CID 54605246

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103008702) is 1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine is COc1ccc(C(N)CCc2cnn(C)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is OCZCRRBULSZEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17-10-11(9-16-17)3-8-14(15)12-4-6-13(18-2)7-5-12/h4-7,9-10,14H,3,8,15H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103008702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).