1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol

C13H26N4O — CID 114140218

IUPAC1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCCN(CC)CC(O)CNCc1cnn(C)c1C
InChIInChI=1S/C13H26N4O/c1-5-17(6-2)10-13(18)9-14-7-12-8-15-16(4)11(12)3/h8,13-14,18H,5-7,9-10H2,1-4H3
InChIKeyKUSCCFJXIZUMNH-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.52
Rot. Bonds8

About 1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol

1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol (PubChem CID 114140218) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol
PubChem CID114140218
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCCN(CC)CC(O)CNCc1cnn(C)c1C
InChIInChI=1S/C13H26N4O/c1-5-17(6-2)10-13(18)9-14-7-12-8-15-16(4)11(12)3/h8,13-14,18H,5-7,9-10H2,1-4H3
InChIKeyKUSCCFJXIZUMNH-UHFFFAOYSA-N
XLogP0.52
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol
CID 109480929
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 106044829
N-[(1,5-dimethylpyrazol-4-yl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 103851922
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 103851386
6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol
CID 115768038
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 106044600
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 106044659
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid
CID 106035596
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine
CID 102696485
1-(3,5-dichlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 109482027
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine
CID 79578441

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol (CID 114140218) is 1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol is CCN(CC)CC(O)CNCc1cnn(C)c1C.
What is the InChIKey of 1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol?
The InChIKey is KUSCCFJXIZUMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-5-17(6-2)10-13(18)9-14-7-12-8-15-16(4)11(12)3/h8,13-14,18H,5-7,9-10H2,1-4H3.
What are the key properties of 1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol?
1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol has a molecular weight of 254.38 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 114140218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).