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

C14H19N3O — CID 43124177

IUPAC3-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCOc1ccc(CCC(N)c2cnn(C)c2)cc1
InChIInChI=1S/C14H19N3O/c1-17-10-12(9-16-17)14(15)8-5-11-3-6-13(18-2)7-4-11/h3-4,6-7,9-10,14H,5,8,15H2,1-2H3
InChIKeyVCKKJQAUPOAZKJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.06
Rot. Bonds5

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

3-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 43124177) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID43124177
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCOc1ccc(CCC(N)c2cnn(C)c2)cc1
InChIInChI=1S/C14H19N3O/c1-17-10-12(9-16-17)14(15)8-5-11-3-6-13(18-2)7-4-11/h3-4,6-7,9-10,14H,5,8,15H2,1-2H3
InChIKeyVCKKJQAUPOAZKJ-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

1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103008702
1-(1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010531
3-(4-methoxyphenyl)-1-(4-propylphenyl)propan-1-amine
CID 43099758
3-(4-methoxyphenyl)-1-(3-methyltriazol-4-yl)propan-1-amine
CID 105043651
3-(4-methoxyphenyl)-1-(3-methylimidazol-4-yl)propan-1-amine
CID 82896236
4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole
CID 116794086
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 94420132
1-(4-methoxy-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011839
1-(4-fluoro-3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029968
N-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65383877
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)propan-1-amine;hydron;chloride
CID 51056094
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine (CID 43124177) is 3-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine is COc1ccc(CCC(N)c2cnn(C)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is VCKKJQAUPOAZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17-10-12(9-16-17)14(15)8-5-11-3-6-13(18-2)7-4-11/h3-4,6-7,9-10,14H,5,8,15H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine?
3-(4-methoxyphenyl)-1-(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 3-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 43124177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).