N-[(3,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine

C15H21N3O2 — CID 43435016

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCOc1ccc(CNC(C)Cn2cccn2)cc1OC
InChIInChI=1S/C15H21N3O2/c1-12(11-18-8-4-7-17-18)16-10-13-5-6-14(19-2)15(9-13)20-3/h4-9,12,16H,10-11H2,1-3H3
InChIKeyISXLWRVSTKUWQV-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.08
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine

N-[(3,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 43435016) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID43435016
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCOc1ccc(CNC(C)Cn2cccn2)cc1OC
InChIInChI=1S/C15H21N3O2/c1-12(11-18-8-4-7-17-18)16-10-13-5-6-14(19-2)15(9-13)20-3/h4-9,12,16H,10-11H2,1-3H3
InChIKeyISXLWRVSTKUWQV-UHFFFAOYSA-N
XLogP2.08
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine (CID 43435016) is N-[(3,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine is COc1ccc(CNC(C)Cn2cccn2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is ISXLWRVSTKUWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12(11-18-8-4-7-17-18)16-10-13-5-6-14(19-2)15(9-13)20-3/h4-9,12,16H,10-11H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine?
N-[(3,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 275.35 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 43435016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).