3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-1-methylpyrazol-5-amine

C14H20N4O — CID 117405368

IUPAC3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-1-methylpyrazol-5-amine
SMILESCOc1cc(CN(C)C)cc(-c2cc(N)n(C)n2)c1
InChIInChI=1S/C14H20N4O/c1-17(2)9-10-5-11(7-12(6-10)19-4)13-8-14(15)18(3)16-13/h5-8H,9,15H2,1-4H3
InChIKeyYTIYAPPAJNRZEX-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.74
Rot. Bonds4

About 3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-1-methylpyrazol-5-amine

3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-1-methylpyrazol-5-amine (PubChem CID 117405368) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-1-methylpyrazol-5-amine
PubChem CID117405368
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-1-methylpyrazol-5-amine
SMILESCOc1cc(CN(C)C)cc(-c2cc(N)n(C)n2)c1
InChIInChI=1S/C14H20N4O/c1-17(2)9-10-5-11(7-12(6-10)19-4)13-8-14(15)18(3)16-13/h5-8H,9,15H2,1-4H3
InChIKeyYTIYAPPAJNRZEX-UHFFFAOYSA-N
XLogP1.74
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117370803
3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]propan-1-amine
CID 96606230
3-[3-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117293427
3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61033459
3-[5-methoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117370804
3-[4-(dimethylamino)-2,5-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117442658
3-(4-methoxyphenyl)-1-propylpyrazol-5-amine
CID 61265330
1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921950
5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 61420309
N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 92566097
4-(5-amino-1-methylpyrazol-3-yl)-2-methoxy-6-(trifluoromethyl)phenol
CID 136968286
[3-methoxy-5-(2-methylpyrazol-3-yl)phenyl]methanamine
CID 171393046

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-1-methylpyrazol-5-amine (CID 117405368) is 3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-1-methylpyrazol-5-amine is COc1cc(CN(C)C)cc(-c2cc(N)n(C)n2)c1.
What is the InChIKey of 3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-1-methylpyrazol-5-amine?
The InChIKey is YTIYAPPAJNRZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-17(2)9-10-5-11(7-12(6-10)19-4)13-8-14(15)18(3)16-13/h5-8H,9,15H2,1-4H3.
What are the key properties of 3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-1-methylpyrazol-5-amine?
3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-1-methylpyrazol-5-amine has a molecular weight of 260.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(dimethylamino)methyl]-5-methoxyphenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117405368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).