N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine

C16H24N4O — CID 86913988

IUPACN-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1ccc(-c2[nH]ncc2CNCCCN(C)C)cc1
InChIInChI=1S/C16H24N4O/c1-20(2)10-4-9-17-11-14-12-18-19-16(14)13-5-7-15(21-3)8-6-13/h5-8,12,17H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyGOJYEGGXFXNOKL-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.13
Rot. Bonds8

About N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine

N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 86913988) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID86913988
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1ccc(-c2[nH]ncc2CNCCCN(C)C)cc1
InChIInChI=1S/C16H24N4O/c1-20(2)10-4-9-17-11-14-12-18-19-16(14)13-5-7-15(21-3)8-6-13/h5-8,12,17H,4,9-11H2,1-3H3,(H,18,19)
InChIKeyGOJYEGGXFXNOKL-UHFFFAOYSA-N
XLogP2.13
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.13
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

2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 17450711
1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol
CID 110929429
1-methoxy-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol
CID 111425263
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4590247
N'-(2-methoxyethyl)-N'-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62843067
N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79485640
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 47271559
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 17446645
1-(furan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]ethanol
CID 110889941
5-fluoro-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]pyridin-2-amine
CID 75517162
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 4538755
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 94514892

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine (CID 86913988) is N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine is COc1ccc(-c2[nH]ncc2CNCCCN(C)C)cc1.
What is the InChIKey of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is GOJYEGGXFXNOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-20(2)10-4-9-17-11-14-12-18-19-16(14)13-5-7-15(21-3)8-6-13/h5-8,12,17H,4,9-11H2,1-3H3,(H,18,19).
What are the key properties of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine?
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 288.40 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 86913988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).