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

C16H23N3O2 — CID 82527870

IUPACN-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine
SMILESCOc1ccc(-n2ncc(CNC(C)C)c2C)c(OC)c1
InChIInChI=1S/C16H23N3O2/c1-11(2)17-9-13-10-18-19(12(13)3)15-7-6-14(20-4)8-16(15)21-5/h6-8,10-11,17H,9H2,1-5H3
InChIKeyUVNSFFAMQSULEC-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.70
Rot. Bonds6

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

N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine (PubChem CID 82527870) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine
PubChem CID82527870
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine
SMILESCOc1ccc(-n2ncc(CNC(C)C)c2C)c(OC)c1
InChIInChI=1S/C16H23N3O2/c1-11(2)17-9-13-10-18-19(12(13)3)15-7-6-14(20-4)8-16(15)21-5/h6-8,10-11,17H,9H2,1-5H3
InChIKeyUVNSFFAMQSULEC-UHFFFAOYSA-N
XLogP2.70
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine
CID 82527865
N-[[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 62737204
(1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 51902743
N-[[5-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]propan-2-amine
CID 66439565
N-[[1-(2-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine
CID 66440776
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-(5-bromo-2-pyridinyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine
CID 65347734
N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79485412
N-[[1-(3-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82527947
N-[[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine
CID 82528562
N-[(2-ethoxy-5-methoxyphenyl)methyl]propan-2-amine
CID 43276423

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine (CID 82527870) is N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine is COc1ccc(-n2ncc(CNC(C)C)c2C)c(OC)c1.
What is the InChIKey of N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is UVNSFFAMQSULEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)17-9-13-10-18-19(12(13)3)15-7-6-14(20-4)8-16(15)21-5/h6-8,10-11,17H,9H2,1-5H3.
What are the key properties of N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine?
N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.70, 6 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]propan-2-amine is sourced from PubChem (CID 82527870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).