1-(4-methylpentan-2-yloxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol

C14H27N3O2 — CID 61349844

IUPAC1-(4-methylpentan-2-yloxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCC(C)CC(C)OCC(O)CNCc1cnn(C)c1
InChIInChI=1S/C14H27N3O2/c1-11(2)5-12(3)19-10-14(18)8-15-6-13-7-16-17(4)9-13/h7,9,11-12,14-15,18H,5-6,8,10H2,1-4H3
InChIKeyKIZTWCHQXVYRPV-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.32
Rot. Bonds9

About 1-(4-methylpentan-2-yloxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol

1-(4-methylpentan-2-yloxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol (PubChem CID 61349844) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(4-methylpentan-2-yloxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-methylpentan-2-yloxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
PubChem CID61349844
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-(4-methylpentan-2-yloxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCC(C)CC(C)OCC(O)CNCc1cnn(C)c1
InChIInChI=1S/C14H27N3O2/c1-11(2)5-12(3)19-10-14(18)8-15-6-13-7-16-17(4)9-13/h7,9,11-12,14-15,18H,5-6,8,10H2,1-4H3
InChIKeyKIZTWCHQXVYRPV-UHFFFAOYSA-N
XLogP1.32
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-[(1-methylpyrazol-4-yl)methylamino]propane-1,2-diol
CID 165487520
1-(4-methylpentan-2-yloxy)-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 63302466
1-(4-bromophenoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349091
1-(2-ethylcyclohexyl)oxy-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61351185
2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]propanoic acid
CID 61350630
1-[(2-methoxy-4-pyridinyl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 62990076
1-(furan-2-ylmethoxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349089
N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methylamino]acetamide
CID 61349855
1-(4-methylpentan-2-yloxy)-3-(1,2,4-oxadiazol-3-ylmethylamino)propan-2-ol
CID 106399294
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 61349630
1-(4-methylpentan-2-yloxy)-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760276
1-(4-methylpentan-2-yloxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 60970362

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentan-2-yloxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(4-methylpentan-2-yloxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol (CID 61349844) is 1-(4-methylpentan-2-yloxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(4-methylpentan-2-yloxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(4-methylpentan-2-yloxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol is CC(C)CC(C)OCC(O)CNCc1cnn(C)c1.
What is the InChIKey of 1-(4-methylpentan-2-yloxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol?
The InChIKey is KIZTWCHQXVYRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(2)5-12(3)19-10-14(18)8-15-6-13-7-16-17(4)9-13/h7,9,11-12,14-15,18H,5-6,8,10H2,1-4H3.
What are the key properties of 1-(4-methylpentan-2-yloxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol?
1-(4-methylpentan-2-yloxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol has a molecular weight of 269.39 g/mol, XLogP of 1.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentan-2-yloxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 61349844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).