N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine

C17H25N3O2 — CID 82527865

IUPACN-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1cnn(-c2ccc(OC)cc2OC)c1C
InChIInChI=1S/C17H25N3O2/c1-6-12(2)18-10-14-11-19-20(13(14)3)16-8-7-15(21-4)9-17(16)22-5/h7-9,11-12,18H,6,10H2,1-5H3
InChIKeyHQUJRPKHCJMQCH-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.09
Rot. Bonds7

About N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine

N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine (PubChem CID 82527865) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine
PubChem CID82527865
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1cnn(-c2ccc(OC)cc2OC)c1C
InChIInChI=1S/C17H25N3O2/c1-6-12(2)18-10-14-11-19-20(13(14)3)16-8-7-15(21-4)9-17(16)22-5/h7-9,11-12,18H,6,10H2,1-5H3
InChIKeyHQUJRPKHCJMQCH-UHFFFAOYSA-N
XLogP3.09
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine
CID 82527870
N-[[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine
CID 82528562
N-[(2,5-dimethoxyphenyl)methyl]butan-2-amine
CID 43177332
N-[[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methyl]butan-2-amine
CID 82528434
(2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 93046419
(1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 51902743
2-[[[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-5-methoxyphenol
CID 26336842
1-(2,4-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 19623111
N-[[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62737204
1-(2,5-dimethoxyphenyl)-5-methylpyrazol-4-amine
CID 82466679
N-[[1-(3-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82527947
(1S)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine
CID 25456774

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine?
The IUPAC name of N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine (CID 82527865) is N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine.
What is the SMILES notation for N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine?
The canonical SMILES for N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine is CCC(C)NCc1cnn(-c2ccc(OC)cc2OC)c1C.
What is the InChIKey of N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine?
The InChIKey is HQUJRPKHCJMQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-6-12(2)18-10-14-11-19-20(13(14)3)16-8-7-15(21-4)9-17(16)22-5/h7-9,11-12,18H,6,10H2,1-5H3.
What are the key properties of N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine?
N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine has a molecular weight of 303.41 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine is sourced from PubChem (CID 82527865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).