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

C14H27N3O3 — CID 106044600

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCc1c(CNCC(O)COCCOC(C)C)cnn1C
InChIInChI=1S/C14H27N3O3/c1-11(2)20-6-5-19-10-14(18)9-15-7-13-8-16-17(4)12(13)3/h8,11,14-15,18H,5-7,9-10H2,1-4H3
InChIKeyQVARABCHBJKMMZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.62
Rot. Bonds10

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

1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol (PubChem CID 106044600) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
PubChem CID106044600
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
SMILESCc1c(CNCC(O)COCCOC(C)C)cnn1C
InChIInChI=1S/C14H27N3O3/c1-11(2)20-6-5-19-10-14(18)9-15-7-13-8-16-17(4)12(13)3/h8,11,14-15,18H,5-7,9-10H2,1-4H3
InChIKeyQVARABCHBJKMMZ-UHFFFAOYSA-N
XLogP0.62
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 103851386
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol
CID 109480929
2-[[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]methyl]phenol
CID 114331941
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
1-(diethylamino)-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 114140218
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypropan-1-amine
CID 102696485
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 106044829
1-[(2,5-difluorophenyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 63794811
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 106044659
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid
CID 106035596
6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol
CID 115768038

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol (CID 106044600) is 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol is Cc1c(CNCC(O)COCCOC(C)C)cnn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
The InChIKey is QVARABCHBJKMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-11(2)20-6-5-19-10-14(18)9-15-7-13-8-16-17(4)12(13)3/h8,11,14-15,18H,5-7,9-10H2,1-4H3.
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol?
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 0.62, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol is sourced from PubChem (CID 106044600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).