3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-1-ol

C11H21N3O — CID 115970555

IUPAC3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-1-ol
SMILESCc1c(C(C)NCC(C)CO)cnn1C
InChIInChI=1S/C11H21N3O/c1-8(7-15)5-12-9(2)11-6-13-14(4)10(11)3/h6,8-9,12,15H,5,7H2,1-4H3
InChIKeyLERPOXJFUVHRFT-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.01
Rot. Bonds5

About 3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-1-ol

3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-1-ol (PubChem CID 115970555) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-1-ol
PubChem CID115970555
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-1-ol
SMILESCc1c(C(C)NCC(C)CO)cnn1C
InChIInChI=1S/C11H21N3O/c1-8(7-15)5-12-9(2)11-6-13-14(4)10(11)3/h6,8-9,12,15H,5,7H2,1-4H3
InChIKeyLERPOXJFUVHRFT-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methoxy-2-methylpropan-1-amine
CID 115970779
1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-3-ethylpentan-2-ol
CID 110010526
3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid
CID 155858515
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795
1-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylbutan-2-ol
CID 115971884
2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol
CID 19627463
1-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxyethyl)ethanamine
CID 115970494
5-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-4,4-dimethylpentan-2-ol
CID 110011190
1-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 110010378
1-(1,5-dimethylpyrazol-4-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43751995
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-ethoxypropan-1-amine
CID 115970239
1-(2,5-dimethoxyphenyl)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]ethanol
CID 110010175

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-1-ol?
The IUPAC name of 3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-1-ol (CID 115970555) is 3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-1-ol is Cc1c(C(C)NCC(C)CO)cnn1C.
What is the InChIKey of 3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-1-ol?
The InChIKey is LERPOXJFUVHRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-8(7-15)5-12-9(2)11-6-13-14(4)10(11)3/h6,8-9,12,15H,5,7H2,1-4H3.
What are the key properties of 3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-1-ol?
3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 115970555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).