(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol

C10H19N3O — CID 103906693

IUPAC(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol
SMILESCc1nn(C)cc1C(C)NC[C@@H](C)O
InChIInChI=1S/C10H19N3O/c1-7(14)5-11-8(2)10-6-13(4)12-9(10)3/h6-8,11,14H,5H2,1-4H3/t7-,8?/m1/s1
InChIKeyGIWLSVCHJUSRLX-GVHYBUMESA-N
MW197.28 g/mol
LogP0.76
Rot. Bonds4

About (2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol

(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol (PubChem CID 103906693) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol
PubChem CID103906693
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol
SMILESCc1nn(C)cc1C(C)NC[C@@H](C)O
InChIInChI=1S/C10H19N3O/c1-7(14)5-11-8(2)10-6-13(4)12-9(10)3/h6-8,11,14H,5H2,1-4H3/t7-,8?/m1/s1
InChIKeyGIWLSVCHJUSRLX-GVHYBUMESA-N
XLogP0.76
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103778668
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115895432
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-diethoxyethanamine
CID 79548132
1-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 65192315
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylprop-2-en-1-amine
CID 115903248
1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-ol
CID 65197340
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]butan-1-ol
CID 106841146
1-(1,3-dimethylpyrazol-4-yl)-2-(propan-2-ylamino)ethanol
CID 83095157
1-(1,3-dimethylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104577605
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroethanamine
CID 65192198
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 65197076
1-(1,3-dimethylpyrazol-4-yl)ethylhydrazine
CID 65196946

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol?
The IUPAC name of (2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol (CID 103906693) is (2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol is Cc1nn(C)cc1C(C)NC[C@@H](C)O.
What is the InChIKey of (2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol?
The InChIKey is GIWLSVCHJUSRLX-GVHYBUMESA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(14)5-11-8(2)10-6-13(4)12-9(10)3/h6-8,11,14H,5H2,1-4H3/t7-,8?/m1/s1.
What are the key properties of (2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol?
(2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 103906693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).