1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine

C17H25N3O — CID 64770857

IUPAC1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
SMILESCNC(Cc1cccc(OC)c1)Cc1ccn(C(C)C)n1
InChIInChI=1S/C17H25N3O/c1-13(2)20-9-8-15(19-20)12-16(18-3)10-14-6-5-7-17(11-14)21-4/h5-9,11,13,16,18H,10,12H2,1-4H3
InChIKeyJJFSVVXKAJBSLU-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.85
Rot. Bonds7

About 1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine

1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine (PubChem CID 64770857) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
PubChem CID64770857
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
SMILESCNC(Cc1cccc(OC)c1)Cc1ccn(C(C)C)n1
InChIInChI=1S/C17H25N3O/c1-13(2)20-9-8-15(19-20)12-16(18-3)10-14-6-5-7-17(11-14)21-4/h5-9,11,13,16,18H,10,12H2,1-4H3
InChIKeyJJFSVVXKAJBSLU-UHFFFAOYSA-N
XLogP2.85
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64771393
[1-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105205197
1-(3-methoxyphenyl)-N-methylbutan-2-amine
CID 61065553
1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771008
1-(5-ethyl-2-pyridinyl)-3-(3-methoxyphenyl)-N-methylpropan-2-amine
CID 79732394
1-(1-butan-2-ylpyrazol-3-yl)-3-(3-chlorophenyl)-N-methylpropan-2-amine
CID 64783754
N-methyl-1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-amine
CID 105154860
5-methoxy-1-(3-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 105133972
1-(3-methoxyphenyl)-N-methyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135010
2-(3-methoxyphenyl)-1-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64771886
1-(3-methoxyphenyl)-N-methylhex-4-yn-2-amine
CID 62309396
1-(1-butan-2-ylpyrazol-3-yl)-N-methyl-3-phenoxypropan-2-amine
CID 64779800

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine (CID 64770857) is 1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine is CNC(Cc1cccc(OC)c1)Cc1ccn(C(C)C)n1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine?
The InChIKey is JJFSVVXKAJBSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(2)20-9-8-15(19-20)12-16(18-3)10-14-6-5-7-17(11-14)21-4/h5-9,11,13,16,18H,10,12H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine?
1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 64770857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).