[1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine

C14H19N3O2 — CID 84760277

IUPAC[1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
SMILESCOc1ccc(OC)c(-n2nc(C)c(CN)c2C)c1
InChIInChI=1S/C14H19N3O2/c1-9-12(8-15)10(2)17(16-9)13-7-11(18-3)5-6-14(13)19-4/h5-7H,8,15H2,1-4H3
InChIKeyRPVLAFMWDXKWIG-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.97
Rot. Bonds4

About [1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine

[1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine (PubChem CID 84760277) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
PubChem CID84760277
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
SMILESCOc1ccc(OC)c(-n2nc(C)c(CN)c2C)c1
InChIInChI=1S/C14H19N3O2/c1-9-12(8-15)10(2)17(16-9)13-7-11(18-3)5-6-14(13)19-4/h5-7H,8,15H2,1-4H3
InChIKeyRPVLAFMWDXKWIG-UHFFFAOYSA-N
XLogP1.97
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-methoxy-5-nitrophenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 84760269
1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 39375252
[1-(3-chloro-4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 82091856
[1-(5-chloro-2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanol
CID 39365870
1-[1-(2-methoxy-5-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 84760375
1-(2,5-dimethoxyphenyl)-5-methylpyrazol-4-amine
CID 82466679
[1-(2,5-dimethoxyphenyl)imidazol-4-yl]methanamine
CID 82475495
[1-(2,5-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine
CID 66523707
[1-(2-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 84760268
[5-(2-bromo-4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine
CID 104706400
[1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine
CID 82198669
2-[1-(2,5-dimethoxyphenyl)imidazol-4-yl]ethanamine
CID 96662978

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine?
The IUPAC name of [1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine (CID 84760277) is [1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine?
The canonical SMILES for [1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine is COc1ccc(OC)c(-n2nc(C)c(CN)c2C)c1.
What is the InChIKey of [1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine?
The InChIKey is RPVLAFMWDXKWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-12(8-15)10(2)17(16-9)13-7-11(18-3)5-6-14(13)19-4/h5-7H,8,15H2,1-4H3.
What are the key properties of [1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine?
[1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine has a molecular weight of 261.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine is sourced from PubChem (CID 84760277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).