1-pyrazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine

C16H23N3O3 — CID 47030720

IUPAC1-pyrazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
SMILESCOc1cc(CNC(C)Cn2cccn2)cc(OC)c1OC
InChIInChI=1S/C16H23N3O3/c1-12(11-19-7-5-6-18-19)17-10-13-8-14(20-2)16(22-4)15(9-13)21-3/h5-9,12,17H,10-11H2,1-4H3
InChIKeyMDGBIGDIXXFTEN-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.09
Rot. Bonds8

About 1-pyrazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine

1-pyrazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine (PubChem CID 47030720) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-pyrazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-pyrazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
PubChem CID47030720
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-pyrazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
SMILESCOc1cc(CNC(C)Cn2cccn2)cc(OC)c1OC
InChIInChI=1S/C16H23N3O3/c1-12(11-19-7-5-6-18-19)17-10-13-8-14(20-2)16(22-4)15(9-13)21-3/h5-9,12,17H,10-11H2,1-4H3
InChIKeyMDGBIGDIXXFTEN-UHFFFAOYSA-N
XLogP2.09
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine?
The IUPAC name of 1-pyrazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine (CID 47030720) is 1-pyrazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-pyrazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for 1-pyrazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine is COc1cc(CNC(C)Cn2cccn2)cc(OC)c1OC.
What is the InChIKey of 1-pyrazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine?
The InChIKey is MDGBIGDIXXFTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(11-19-7-5-6-18-19)17-10-13-8-14(20-2)16(22-4)15(9-13)21-3/h5-9,12,17H,10-11H2,1-4H3.
What are the key properties of 1-pyrazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine?
1-pyrazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine has a molecular weight of 305.38 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 47030720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).