N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine

C15H21N3O2 — CID 103866845

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
SMILESCCOc1cc(CNc2cn(C)nc2C)ccc1OC
InChIInChI=1S/C15H21N3O2/c1-5-20-15-8-12(6-7-14(15)19-4)9-16-13-10-18(3)17-11(13)2/h6-8,10,16H,5,9H2,1-4H3
InChIKeyRGQXWFAESWLWDO-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.75
Rot. Bonds6

About N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine

N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine (PubChem CID 103866845) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
PubChem CID103866845
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine
SMILESCCOc1cc(CNc2cn(C)nc2C)ccc1OC
InChIInChI=1S/C15H21N3O2/c1-5-20-15-8-12(6-7-14(15)19-4)9-16-13-10-18(3)17-11(13)2/h6-8,10,16H,5,9H2,1-4H3
InChIKeyRGQXWFAESWLWDO-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-dimethylpyrazol-4-amine
CID 103866875
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylaniline
CID 900370
2-ethoxy-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]phenol
CID 107462470
2-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-6-ethoxyphenol
CID 104954462
4-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]-2-methoxyphenol
CID 19627604
2-methoxy-4-[[(3-methyl-1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
CID 126965311
N-[(3,4-dibromophenyl)methyl]-1,3-dimethylpyrazol-4-amine
CID 104954421
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine
CID 133471195
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 4717191
1-(1,3-dimethylpyrazol-4-yl)-N-[(4-methoxy-3-pentoxyphenyl)methyl]ethanamine
CID 119122606
6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine
CID 104600023
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine (CID 103866845) is N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine is CCOc1cc(CNc2cn(C)nc2C)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine?
The InChIKey is RGQXWFAESWLWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-20-15-8-12(6-7-14(15)19-4)9-16-13-10-18(3)17-11(13)2/h6-8,10,16H,5,9H2,1-4H3.
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine?
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine has a molecular weight of 275.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 103866845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).