3-(4-methoxy-1-propylpyrazol-5-yl)-1-phenylpropan-1-amine

C16H23N3O — CID 114663919

IUPAC3-(4-methoxy-1-propylpyrazol-5-yl)-1-phenylpropan-1-amine
SMILESCCCn1ncc(OC)c1CCC(N)c1ccccc1
InChIInChI=1S/C16H23N3O/c1-3-11-19-15(16(20-2)12-18-19)10-9-14(17)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11,17H2,1-2H3
InChIKeyGSMPKNYXSILFPX-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.93
Rot. Bonds7

About 3-(4-methoxy-1-propylpyrazol-5-yl)-1-phenylpropan-1-amine

3-(4-methoxy-1-propylpyrazol-5-yl)-1-phenylpropan-1-amine (PubChem CID 114663919) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(4-methoxy-1-propylpyrazol-5-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-1-propylpyrazol-5-yl)-1-phenylpropan-1-amine
PubChem CID114663919
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-(4-methoxy-1-propylpyrazol-5-yl)-1-phenylpropan-1-amine
SMILESCCCn1ncc(OC)c1CCC(N)c1ccccc1
InChIInChI=1S/C16H23N3O/c1-3-11-19-15(16(20-2)12-18-19)10-9-14(17)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11,17H2,1-2H3
InChIKeyGSMPKNYXSILFPX-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-1-propylpyrazol-5-yl)-4-methylpentan-3-amine
CID 114663877
1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenylbutan-1-amine
CID 105048844
1-(4-methoxy-1-propylpyrazol-5-yl)-4,4-dimethylpentan-3-ol
CID 114665013
5-(3-bromo-4-methylpentyl)-4-methoxy-1-propylpyrazole
CID 114665454
1-(4-methoxy-1-propylpyrazol-5-yl)-2-phenoxyethanamine
CID 114649620
N-ethyl-3-(4-methoxy-1-methylpyrazol-5-yl)-1-phenylpropan-1-amine
CID 114664432
3-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114648518
3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-one
CID 114668323
3-(2-ethylpyrazol-3-yl)-1-phenylpropan-1-amine
CID 64503724
1-(4-methoxy-1-methylpyrazol-5-yl)pentan-3-amine
CID 114663864
(3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048688
(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114659698

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-1-propylpyrazol-5-yl)-1-phenylpropan-1-amine?
The IUPAC name of 3-(4-methoxy-1-propylpyrazol-5-yl)-1-phenylpropan-1-amine (CID 114663919) is 3-(4-methoxy-1-propylpyrazol-5-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(4-methoxy-1-propylpyrazol-5-yl)-1-phenylpropan-1-amine?
The canonical SMILES for 3-(4-methoxy-1-propylpyrazol-5-yl)-1-phenylpropan-1-amine is CCCn1ncc(OC)c1CCC(N)c1ccccc1.
What is the InChIKey of 3-(4-methoxy-1-propylpyrazol-5-yl)-1-phenylpropan-1-amine?
The InChIKey is GSMPKNYXSILFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-11-19-15(16(20-2)12-18-19)10-9-14(17)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11,17H2,1-2H3.
What are the key properties of 3-(4-methoxy-1-propylpyrazol-5-yl)-1-phenylpropan-1-amine?
3-(4-methoxy-1-propylpyrazol-5-yl)-1-phenylpropan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-1-propylpyrazol-5-yl)-1-phenylpropan-1-amine is sourced from PubChem (CID 114663919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).