1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine

C16H23N3O — CID 103030537

IUPAC1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
SMILESCOc1ccc(CCC(N)CCc2ccnn2C)cc1
InChIInChI=1S/C16H23N3O/c1-19-15(11-12-18-19)8-7-14(17)6-3-13-4-9-16(20-2)10-5-13/h4-5,9-12,14H,3,6-8,17H2,1-2H3
InChIKeyFMBMTDXNYUMMEY-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.32
Rot. Bonds7

About 1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine

1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine (PubChem CID 103030537) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
PubChem CID103030537
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
SMILESCOc1ccc(CCC(N)CCc2ccnn2C)cc1
InChIInChI=1S/C16H23N3O/c1-19-15(11-12-18-19)8-7-14(17)6-3-13-4-9-16(20-2)10-5-13/h4-5,9-12,14H,3,6-8,17H2,1-2H3
InChIKeyFMBMTDXNYUMMEY-UHFFFAOYSA-N
XLogP2.32
TPSA53.07 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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008038
1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103031048
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030755
N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694398
1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030498
1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103008961
4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine
CID 103010442
1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030412
4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine
CID 103009787
1-(3-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008036
4-(4-methoxyphenyl)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 105003135

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine?
The IUPAC name of 1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine (CID 103030537) is 1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine is COc1ccc(CCC(N)CCc2ccnn2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine?
The InChIKey is FMBMTDXNYUMMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-19-15(11-12-18-19)8-7-14(17)6-3-13-4-9-16(20-2)10-5-13/h4-5,9-12,14H,3,6-8,17H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine?
1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine has a molecular weight of 273.38 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine is sourced from PubChem (CID 103030537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).