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

C15H21N3O2 — CID 79485640

IUPACN-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn[nH]c1-c1ccc(OC)cc1OC
InChIInChI=1S/C15H21N3O2/c1-4-7-16-9-11-10-17-18-15(11)13-6-5-12(19-2)8-14(13)20-3/h5-6,8,10,16H,4,7,9H2,1-3H3,(H,17,18)
InChIKeyKNNXWRCCHRXRHW-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.59
Rot. Bonds7

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

N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 79485640) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
PubChem CID79485640
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn[nH]c1-c1ccc(OC)cc1OC
InChIInChI=1S/C15H21N3O2/c1-4-7-16-9-11-10-17-18-15(11)13-6-5-12(19-2)8-14(13)20-3/h5-6,8,10,16H,4,7,9H2,1-3H3,(H,17,18)
InChIKeyKNNXWRCCHRXRHW-UHFFFAOYSA-N
XLogP2.59
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79485564
N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79485412
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 47271559
1-(2,3-dimethoxyphenyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 25286903
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 86913988
3-(2,5-dimethoxyphenyl)-5-(propylaminomethyl)-1H-pyridazin-6-one
CID 82446278
N'-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303532
N-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137383
N-[[3-(2,4-dimethoxyphenyl)phenyl]methyl]propan-1-amine
CID 61034037
2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 17450711
N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine
CID 4722370
N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
CID 4719115

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (CID 79485640) is N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is CCCNCc1cn[nH]c1-c1ccc(OC)cc1OC.
What is the InChIKey of N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is KNNXWRCCHRXRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-7-16-9-11-10-17-18-15(11)13-6-5-12(19-2)8-14(13)20-3/h5-6,8,10,16H,4,7,9H2,1-3H3,(H,17,18).
What are the key properties of N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 79485640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).