1-(4-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propan-1-amine

C16H23N3O — CID 43749281

IUPAC1-(4-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propan-1-amine
SMILESCCC(NC(C)Cn1cccn1)c1ccc(OC)cc1
InChIInChI=1S/C16H23N3O/c1-4-16(14-6-8-15(20-3)9-7-14)18-13(2)12-19-11-5-10-17-19/h5-11,13,16,18H,4,12H2,1-3H3
InChIKeyATAPACRRBDGSPI-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.02
Rot. Bonds7

About 1-(4-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propan-1-amine

1-(4-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propan-1-amine (PubChem CID 43749281) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propan-1-amine
PubChem CID43749281
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(4-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propan-1-amine
SMILESCCC(NC(C)Cn1cccn1)c1ccc(OC)cc1
InChIInChI=1S/C16H23N3O/c1-4-16(14-6-8-15(20-3)9-7-14)18-13(2)12-19-11-5-10-17-19/h5-11,13,16,18H,4,12H2,1-3H3
InChIKeyATAPACRRBDGSPI-UHFFFAOYSA-N
XLogP3.02
TPSA39.08 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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine
CID 93276656
4-[1-(1-pyrazol-1-ylpropan-2-ylamino)propyl]phenol
CID 43749270
N-[1-(4-methoxyphenyl)propyl]butan-2-amine
CID 43190279
1-(4-methoxyphenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol
CID 56828855
5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol
CID 43749211
(2S)-2-[1-(4-methoxyphenyl)propylamino]propan-1-ol
CID 103789006
2-(4-methoxyphenyl)-3-pyrazol-1-ylpropan-1-amine
CID 115038406
1-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 81371484
(1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81370767
4-[1-(4-methoxyphenyl)propylamino]pentan-2-ol
CID 113376060
4-(4-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 95126839
(2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 93046419

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propan-1-amine (CID 43749281) is 1-(4-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propan-1-amine is CCC(NC(C)Cn1cccn1)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propan-1-amine?
The InChIKey is ATAPACRRBDGSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-16(14-6-8-15(20-3)9-7-14)18-13(2)12-19-11-5-10-17-19/h5-11,13,16,18H,4,12H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propan-1-amine?
1-(4-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propan-1-amine is sourced from PubChem (CID 43749281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).