(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol

C6H11N3O — CID 93471722

IUPAC(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc([C@H](N)CO)cn1
InChIInChI=1S/C6H11N3O/c1-9-3-5(2-8-9)6(7)4-10/h2-3,6,10H,4,7H2,1H3/t6-/m1/s1
InChIKeyOZVXTNDTEWDMGH-ZCFIWIBFSA-N
MW141.17 g/mol
LogP-0.59
Rot. Bonds2

About (2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol

(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol (PubChem CID 93471722) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is (2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
PubChem CID93471722
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc([C@H](N)CO)cn1
InChIInChI=1S/C6H11N3O/c1-9-3-5(2-8-9)6(7)4-10/h2-3,6,10H,4,7H2,1H3/t6-/m1/s1
InChIKeyOZVXTNDTEWDMGH-ZCFIWIBFSA-N
XLogP-0.59
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol 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

(3R)-3-amino-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 94420132
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
CID 28600208
1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine
CID 115291096
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-propylethane-1,2-diamine
CID 115291130
N',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 113280024
N'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994511
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 113280046
1-amino-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 82412738
1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethanamine
CID 62551755
2-(4-ethylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethanamine
CID 113280007
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112660793

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of (2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol (CID 93471722) is (2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol is Cn1cc([C@H](N)CO)cn1.
What is the InChIKey of (2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is OZVXTNDTEWDMGH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11N3O/c1-9-3-5(2-8-9)6(7)4-10/h2-3,6,10H,4,7H2,1H3/t6-/m1/s1.
What are the key properties of (2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol?
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 141.17 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 93471722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).