2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol

C11H21N3O — CID 115623040

IUPAC2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCC(C)n1cc(CNCC(C)(C)O)cn1
InChIInChI=1S/C11H21N3O/c1-9(2)14-7-10(6-13-14)5-12-8-11(3,4)15/h6-7,9,12,15H,5,8H2,1-4H3
InChIKeyNCJLTGZMBUPFAW-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.32
Rot. Bonds5

About 2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol

2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol (PubChem CID 115623040) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
PubChem CID115623040
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
SMILESCC(C)n1cc(CNCC(C)(C)O)cn1
InChIInChI=1S/C11H21N3O/c1-9(2)14-7-10(6-13-14)5-12-8-11(3,4)15/h6-7,9,12,15H,5,8H2,1-4H3
InChIKeyNCJLTGZMBUPFAW-UHFFFAOYSA-N
XLogP1.32
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349842
2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 126967018
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
CID 115630774
2-methyl-1-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]propan-2-ol
CID 115718660
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine;hydrochloride
CID 126967036
3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
CID 113243338
2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol
CID 111118581
2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 115623017
N-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 103724276
3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]pentan-1-ol
CID 103748663

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol?
The IUPAC name of 2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol (CID 115623040) is 2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol is CC(C)n1cc(CNCC(C)(C)O)cn1.
What is the InChIKey of 2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol?
The InChIKey is NCJLTGZMBUPFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(2)14-7-10(6-13-14)5-12-8-11(3,4)15/h6-7,9,12,15H,5,8H2,1-4H3.
What are the key properties of 2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol?
2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol is sourced from PubChem (CID 115623040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).