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

C12H23N3O — CID 114536486

IUPAC3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol
SMILESCc1cc(C)n(CCCNCC(C)CO)n1
InChIInChI=1S/C12H23N3O/c1-10(9-16)8-13-5-4-6-15-12(3)7-11(2)14-15/h7,10,13,16H,4-6,8-9H2,1-3H3
InChIKeyBFAKUJTUQVWERG-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.11
Rot. Bonds7

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

3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol (PubChem CID 114536486) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol
PubChem CID114536486
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol
SMILESCc1cc(C)n(CCCNCC(C)CO)n1
InChIInChI=1S/C12H23N3O/c1-10(9-16)8-13-5-4-6-15-12(3)7-11(2)14-15/h7,10,13,16H,4-6,8-9H2,1-3H3
InChIKeyBFAKUJTUQVWERG-UHFFFAOYSA-N
XLogP1.11
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-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

3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol
CID 115569666
ethyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropanoate
CID 114536496
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide
CID 115573484
ethyl 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-hydroxybutanoate
CID 103266908
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-ethyl-2-(3-hydroxy-2-methylpropyl)guanidine
CID 111281015
1-cyclopentyl-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propan-2-ol
CID 103158404
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
CID 115573303
3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine
CID 115574431
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine
CID 115706653
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536339
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile
CID 115571469

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol?
The IUPAC name of 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol (CID 114536486) is 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol is Cc1cc(C)n(CCCNCC(C)CO)n1.
What is the InChIKey of 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol?
The InChIKey is BFAKUJTUQVWERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(9-16)8-13-5-4-6-15-12(3)7-11(2)14-15/h7,10,13,16H,4-6,8-9H2,1-3H3.
What are the key properties of 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol?
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 114536486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).