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

C13H25N3O2 — CID 103851386

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
SMILESCc1c(CNCC(O)COCC(C)C)cnn1C
InChIInChI=1S/C13H25N3O2/c1-10(2)8-18-9-13(17)7-14-5-12-6-15-16(4)11(12)3/h6,10,13-14,17H,5,7-9H2,1-4H3
InChIKeyQUWSCWILCRMSKK-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.85
Rot. Bonds8

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

1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 103851386) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID103851386
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
SMILESCc1c(CNCC(O)COCC(C)C)cnn1C
InChIInChI=1S/C13H25N3O2/c1-10(2)8-18-9-13(17)7-14-5-12-6-15-16(4)11(12)3/h6,10,13-14,17H,5,7-9H2,1-4H3
InChIKeyQUWSCWILCRMSKK-UHFFFAOYSA-N
XLogP0.85
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 106044600
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentan-2-ol
CID 109480929
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 109479903
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]-3-pyrazol-1-ylpropan-2-ol
CID 106044829
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 106044659
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid
CID 106035596
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
1-(3,5-dichlorophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 109482027
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-methylpropoxy)propan-2-ol?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol (CID 103851386) is 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol is Cc1c(CNCC(O)COCC(C)C)cnn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is QUWSCWILCRMSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(2)8-18-9-13(17)7-14-5-12-6-15-16(4)11(12)3/h6,10,13-14,17H,5,7-9H2,1-4H3.
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol?
1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 255.36 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 103851386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).