3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol

C11H21N3O2 — CID 115569666

IUPAC3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol
SMILESCc1cc(C)n(CCCNCC(O)CO)n1
InChIInChI=1S/C11H21N3O2/c1-9-6-10(2)14(13-9)5-3-4-12-7-11(16)8-15/h6,11-12,15-16H,3-5,7-8H2,1-2H3
InChIKeyPUTBCYPUOJLQQF-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.17
Rot. Bonds7

About 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol

3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol (PubChem CID 115569666) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol
PubChem CID115569666
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol
SMILESCc1cc(C)n(CCCNCC(O)CO)n1
InChIInChI=1S/C11H21N3O2/c1-9-6-10(2)14(13-9)5-3-4-12-7-11(16)8-15/h6,11-12,15-16H,3-5,7-8H2,1-2H3
InChIKeyPUTBCYPUOJLQQF-UHFFFAOYSA-N
XLogP-0.17
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol
CID 114536486
ethyl 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-hydroxybutanoate
CID 103266908
1-cyclopentyl-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propan-2-ol
CID 103158404
ethyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropanoate
CID 114536496
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
CID 115573303
[4-[(2R)-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 2126667
4-[4-[(2R)-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-hydroxypropoxy]phenyl]butan-2-one
CID 2089105
3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine
CID 115574431
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536339
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile
CID 115571469
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-4-en-1-amine
CID 114536472

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol?
The IUPAC name of 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol (CID 115569666) is 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol.
What is the SMILES notation for 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol?
The canonical SMILES for 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol is Cc1cc(C)n(CCCNCC(O)CO)n1.
What is the InChIKey of 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol?
The InChIKey is PUTBCYPUOJLQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-9-6-10(2)14(13-9)5-3-4-12-7-11(16)8-15/h6,11-12,15-16H,3-5,7-8H2,1-2H3.
What are the key properties of 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol?
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol has a molecular weight of 227.31 g/mol, XLogP of -0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol is sourced from PubChem (CID 115569666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).