N-[(3,5-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine

C15H21N3O2 — CID 115858558

IUPACN-[(3,5-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)cc(OC)c1)c1ccnn1C
InChIInChI=1S/C15H21N3O2/c1-5-16-15(14-6-7-17-18(14)2)11-8-12(19-3)10-13(9-11)20-4/h6-10,15-16H,5H2,1-4H3
InChIKeyFQRUJVPCRZLGNN-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.14
Rot. Bonds6

About N-[(3,5-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine

N-[(3,5-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 115858558) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID115858558
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(3,5-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(OC)cc(OC)c1)c1ccnn1C
InChIInChI=1S/C15H21N3O2/c1-5-16-15(14-6-7-17-18(14)2)11-8-12(19-3)10-13(9-11)20-4/h6-10,15-16H,5H2,1-4H3
InChIKeyFQRUJVPCRZLGNN-UHFFFAOYSA-N
XLogP2.14
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3,5-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[(4-methoxy-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 105115211
N-[(3,5-dimethylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858831
N-[(2,6-dimethyl-4-pyridinyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 107503811
N-[(3-fluorophenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 63961805
N-[(3-bromo-4-chlorophenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 113337176
N-[(2-methylpyrazol-3-yl)-quinolin-6-ylmethyl]ethanamine
CID 63963933
N-[2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858500
N-[(3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 115858444
N-[(4-chloro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105164640
N-[(4,5-dimethylthiophen-2-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858472
N-[(2-chlorofuran-3-yl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 106692062
N-[(3,5-dimethoxyphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 104790226

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine (CID 115858558) is N-[(3,5-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine is CCNC(c1cc(OC)cc(OC)c1)c1ccnn1C.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is FQRUJVPCRZLGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-16-15(14-6-7-17-18(14)2)11-8-12(19-3)10-13(9-11)20-4/h6-10,15-16H,5H2,1-4H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine?
N-[(3,5-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 275.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 115858558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).