1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol

C11H21N3O — CID 60897907

IUPAC1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol
SMILESCC(C)CCNCC(O)Cn1cccn1
InChIInChI=1S/C11H21N3O/c1-10(2)4-6-12-8-11(15)9-14-7-3-5-13-14/h3,5,7,10-12,15H,4,6,8-9H2,1-2H3
InChIKeyXJLJBUJAZJRKMY-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.88
Rot. Bonds7

About 1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol

1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol (PubChem CID 60897907) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol
PubChem CID60897907
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol
SMILESCC(C)CCNCC(O)Cn1cccn1
InChIInChI=1S/C11H21N3O/c1-10(2)4-6-12-8-11(15)9-14-7-3-5-13-14/h3,5,7,10-12,15H,4,6,8-9H2,1-2H3
InChIKeyXJLJBUJAZJRKMY-UHFFFAOYSA-N
XLogP0.88
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302
1-(pent-4-ynylamino)-3-pyrazol-1-ylpropan-2-ol
CID 106221458
N-ethyl-2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]acetamide
CID 60910442
1-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 62991007
1-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61463069
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 54903619
1-(2-methoxyethoxyamino)-3-pyrazol-1-ylpropan-2-ol
CID 82722523
1-[3-[cyclohexyl(methyl)amino]propylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60980033
1-[(1,4-dimethylpiperazin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 63898393
1-[(1-methylpyrazol-3-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 82881683
methyl 2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]propanoate
CID 61499693
1-[[(1R)-1-phenylethyl]amino]-3-pyrazol-1-ylpropan-2-ol
CID 63867828

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol (CID 60897907) is 1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol is CC(C)CCNCC(O)Cn1cccn1.
What is the InChIKey of 1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is XJLJBUJAZJRKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-10(2)4-6-12-8-11(15)9-14-7-3-5-13-14/h3,5,7,10-12,15H,4,6,8-9H2,1-2H3.
What are the key properties of 1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol?
1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 60897907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).