4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentan-1-ol

C11H21N3O — CID 61245964

IUPAC4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentan-1-ol
SMILESCC(C)CC(CO)NCc1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-9(2)4-11(8-15)12-5-10-6-13-14(3)7-10/h6-7,9,11-12,15H,4-5,8H2,1-3H3
InChIKeyOFWGZZUIWKUBNM-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.92
Rot. Bonds6

About 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentan-1-ol

4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentan-1-ol (PubChem CID 61245964) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentan-1-ol
PubChem CID61245964
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentan-1-ol
SMILESCC(C)CC(CO)NCc1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-9(2)4-11(8-15)12-5-10-6-13-14(3)7-10/h6-7,9,11-12,15H,4-5,8H2,1-3H3
InChIKeyOFWGZZUIWKUBNM-UHFFFAOYSA-N
XLogP0.92
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentan-1-ol (CID 61245964) is 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentan-1-ol is CC(C)CC(CO)NCc1cnn(C)c1.
What is the InChIKey of 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentan-1-ol?
The InChIKey is OFWGZZUIWKUBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(2)4-11(8-15)12-5-10-6-13-14(3)7-10/h6-7,9,11-12,15H,4-5,8H2,1-3H3.
What are the key properties of 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentan-1-ol?
4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-methylpyrazol-4-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 61245964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).