(2R)-2-amino-2-(1-methylpyrazol-3-yl)ethanol;dihydrochloride

C6H13Cl2N3O — CID 155905387

IUPAC(2R)-2-amino-2-(1-methylpyrazol-3-yl)ethanol;dihydrochloride
SMILESCl.Cl.Cn1ccc([C@@H](N)CO)n1
InChIInChI=1S/C6H11N3O.2ClH/c1-9-3-2-6(8-9)5(7)4-10;;/h2-3,5,10H,4,7H2,1H3;2*1H/t5-;;/m0../s1
InChIKeyQPBDLFLTKLOQRB-XRIGFGBMSA-N
MW214.10 g/mol
LogP0.26
Rot. Bonds2

About (2R)-2-amino-2-(1-methylpyrazol-3-yl)ethanol;dihydrochloride

(2R)-2-amino-2-(1-methylpyrazol-3-yl)ethanol;dihydrochloride (PubChem CID 155905387) has the molecular formula C6H13Cl2N3O and a molecular weight of 214.10 g/mol. Its IUPAC name is (2R)-2-amino-2-(1-methylpyrazol-3-yl)ethanol;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-(1-methylpyrazol-3-yl)ethanol;dihydrochloride
PubChem CID155905387
Molecular FormulaC6H13Cl2N3O
Molecular Weight214.10 g/mol
Exact Mass213.04
IUPAC Name(2R)-2-amino-2-(1-methylpyrazol-3-yl)ethanol;dihydrochloride
SMILESCl.Cl.Cn1ccc([C@@H](N)CO)n1
InChIInChI=1S/C6H11N3O.2ClH/c1-9-3-2-6(8-9)5(7)4-10;;/h2-3,5,10H,4,7H2,1H3;2*1H/t5-;;/m0../s1
InChIKeyQPBDLFLTKLOQRB-XRIGFGBMSA-N
XLogP0.26
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.10
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride
CID 130453998
2-amino-1-(1-methylpyrazol-3-yl)propan-1-ol
CID 82595674
2-(4-chlorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200453
2-(1-methylimidazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 79760474
3-(2-methoxyethoxy)-1-(1-methylpyrazol-3-yl)propan-1-amine
CID 103131488
1-(1-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 65200458
2-(2-methylphenyl)sulfanyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 103131003
1-(1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147975
3-[bis(ethylsulfanyl)methyl]-1-methylpyrazole
CID 3548225
(2S)-2-amino-2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915767
2-(2,5-difluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200827
2-methyl-1-(1-methylpyrazol-3-yl)propan-1-ol
CID 59693997

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(1-methylpyrazol-3-yl)ethanol;dihydrochloride?
The IUPAC name of (2R)-2-amino-2-(1-methylpyrazol-3-yl)ethanol;dihydrochloride (CID 155905387) is (2R)-2-amino-2-(1-methylpyrazol-3-yl)ethanol;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-2-(1-methylpyrazol-3-yl)ethanol;dihydrochloride?
The canonical SMILES for (2R)-2-amino-2-(1-methylpyrazol-3-yl)ethanol;dihydrochloride is Cl.Cl.Cn1ccc([C@@H](N)CO)n1.
What is the InChIKey of (2R)-2-amino-2-(1-methylpyrazol-3-yl)ethanol;dihydrochloride?
The InChIKey is QPBDLFLTKLOQRB-XRIGFGBMSA-N. The full InChI is InChI=1S/C6H11N3O.2ClH/c1-9-3-2-6(8-9)5(7)4-10;;/h2-3,5,10H,4,7H2,1H3;2*1H/t5-;;/m0../s1.
What are the key properties of (2R)-2-amino-2-(1-methylpyrazol-3-yl)ethanol;dihydrochloride?
(2R)-2-amino-2-(1-methylpyrazol-3-yl)ethanol;dihydrochloride has a molecular weight of 214.10 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(1-methylpyrazol-3-yl)ethanol;dihydrochloride is sourced from PubChem (CID 155905387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).