N-[[1-(3,5-dimethoxyphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine

C15H21N3O2 — CID 84615292

IUPACN-[[1-(3,5-dimethoxyphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(-c2cc(OC)cc(OC)c2)nc1C
InChIInChI=1S/C15H21N3O2/c1-5-16-9-12-10-18(17-11(12)2)13-6-14(19-3)8-15(7-13)20-4/h6-8,10,16H,5,9H2,1-4H3
InChIKeyBTLWXNMPNWCOCS-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.31
Rot. Bonds6

About N-[[1-(3,5-dimethoxyphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine

N-[[1-(3,5-dimethoxyphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine (PubChem CID 84615292) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[[1-(3,5-dimethoxyphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3,5-dimethoxyphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine
PubChem CID84615292
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[[1-(3,5-dimethoxyphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(-c2cc(OC)cc(OC)c2)nc1C
InChIInChI=1S/C15H21N3O2/c1-5-16-9-12-10-18(17-11(12)2)13-6-14(19-3)8-15(7-13)20-4/h6-8,10,16H,5,9H2,1-4H3
InChIKeyBTLWXNMPNWCOCS-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]methyl]ethanamine
CID 84615216
1-[4-[4-(ethylaminomethyl)-3-methylpyrazol-1-yl]phenyl]ethanone
CID 84615201
N-[[3-methyl-1-(3-nitrophenyl)pyrazol-4-yl]methyl]ethanamine
CID 84615276
4-(bromomethyl)-1-(4-methoxyphenyl)-3-methylpyrazole
CID 84617727
N-[[1-(3-chloro-2-methylphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine
CID 84617889
2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol
CID 112705335
N-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189135
1-[1-(3,5-dichlorophenyl)-3-methylpyrazol-4-yl]-N-methylmethanamine
CID 84615124
N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736103
1-(4-methoxyphenyl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine
CID 122166231
2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol
CID 110905987
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)methanamine
CID 19618925

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-dimethoxyphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3,5-dimethoxyphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine (CID 84615292) is N-[[1-(3,5-dimethoxyphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3,5-dimethoxyphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3,5-dimethoxyphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine is CCNCc1cn(-c2cc(OC)cc(OC)c2)nc1C.
What is the InChIKey of N-[[1-(3,5-dimethoxyphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is BTLWXNMPNWCOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-16-9-12-10-18(17-11(12)2)13-6-14(19-3)8-15(7-13)20-4/h6-8,10,16H,5,9H2,1-4H3.
What are the key properties of N-[[1-(3,5-dimethoxyphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine?
N-[[1-(3,5-dimethoxyphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 275.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-dimethoxyphenyl)-3-methylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 84615292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).