3-methyl-1-[(1-methylpyrazol-3-yl)methylamino]pentan-2-ol

C11H21N3O — CID 115623504

IUPAC3-methyl-1-[(1-methylpyrazol-3-yl)methylamino]pentan-2-ol
SMILESCCC(C)C(O)CNCc1ccn(C)n1
InChIInChI=1S/C11H21N3O/c1-4-9(2)11(15)8-12-7-10-5-6-14(3)13-10/h5-6,9,11-12,15H,4,7-8H2,1-3H3
InChIKeyMBNAWEQLOUXOND-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.92
Rot. Bonds6

About 3-methyl-1-[(1-methylpyrazol-3-yl)methylamino]pentan-2-ol

3-methyl-1-[(1-methylpyrazol-3-yl)methylamino]pentan-2-ol (PubChem CID 115623504) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-methyl-1-[(1-methylpyrazol-3-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name3-methyl-1-[(1-methylpyrazol-3-yl)methylamino]pentan-2-ol
PubChem CID115623504
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-methyl-1-[(1-methylpyrazol-3-yl)methylamino]pentan-2-ol
SMILESCCC(C)C(O)CNCc1ccn(C)n1
InChIInChI=1S/C11H21N3O/c1-4-9(2)11(15)8-12-7-10-5-6-14(3)13-10/h5-6,9,11-12,15H,4,7-8H2,1-3H3
InChIKeyMBNAWEQLOUXOND-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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Related Compounds

1,1-difluoro-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 103731643
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82871684
ethyl 3-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]butanoate
CID 103261820
2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 78957770
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanenitrile
CID 82881594
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide
CID 82881515
3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol
CID 82882501
1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 82881683
1-[(1-pentan-3-ylpyrazol-3-yl)methylamino]propan-2-ol
CID 64801613
benzyl 2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanoate
CID 106484113
3-methyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907114
N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82882880

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-methylpyrazol-3-yl)methylamino]pentan-2-ol?
The IUPAC name of 3-methyl-1-[(1-methylpyrazol-3-yl)methylamino]pentan-2-ol (CID 115623504) is 3-methyl-1-[(1-methylpyrazol-3-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 3-methyl-1-[(1-methylpyrazol-3-yl)methylamino]pentan-2-ol?
The canonical SMILES for 3-methyl-1-[(1-methylpyrazol-3-yl)methylamino]pentan-2-ol is CCC(C)C(O)CNCc1ccn(C)n1.
What is the InChIKey of 3-methyl-1-[(1-methylpyrazol-3-yl)methylamino]pentan-2-ol?
The InChIKey is MBNAWEQLOUXOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-9(2)11(15)8-12-7-10-5-6-14(3)13-10/h5-6,9,11-12,15H,4,7-8H2,1-3H3.
What are the key properties of 3-methyl-1-[(1-methylpyrazol-3-yl)methylamino]pentan-2-ol?
3-methyl-1-[(1-methylpyrazol-3-yl)methylamino]pentan-2-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 3-methyl-1-[(1-methylpyrazol-3-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 115623504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).