(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol

C7H13N3O — CID 83000950

IUPAC(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)cc1[C@@H](O)CN
InChIInChI=1S/C7H13N3O/c1-5-6(7(11)3-8)4-10(2)9-5/h4,7,11H,3,8H2,1-2H3/t7-/m0/s1
InChIKeyPFFRJSGARUQGBO-ZETCQYMHSA-N
MW155.20 g/mol
LogP-0.28
Rot. Bonds2

About (1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol

(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol (PubChem CID 83000950) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
PubChem CID83000950
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
SMILESCc1nn(C)cc1[C@@H](O)CN
InChIInChI=1S/C7H13N3O/c1-5-6(7(11)3-8)4-10(2)9-5/h4,7,11H,3,8H2,1-2H3/t7-/m0/s1
InChIKeyPFFRJSGARUQGBO-ZETCQYMHSA-N
XLogP-0.28
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)butan-1-ol
CID 83090747
1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol
CID 83157835
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
1-(1,3-dimethylpyrazol-4-yl)-2-(propan-2-ylamino)ethanol
CID 83095157
2-(1,3-dimethylpyrazol-4-yl)-2-methoxyethanamine
CID 83095091
1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethanol
CID 83091670
2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83091814
2-cyclobutyl-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 102804709
(1S)-2-azido-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83092774
3-(1,3-dimethylpyrazol-4-yl)butan-2-ol
CID 66436534
1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-ol
CID 83090041
(1S)-1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoroethanol
CID 95567318

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol?
The IUPAC name of (1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol (CID 83000950) is (1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for (1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol?
The canonical SMILES for (1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol is Cc1nn(C)cc1[C@@H](O)CN.
What is the InChIKey of (1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol?
The InChIKey is PFFRJSGARUQGBO-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5-6(7(11)3-8)4-10(2)9-5/h4,7,11H,3,8H2,1-2H3/t7-/m0/s1.
What are the key properties of (1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol?
(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol has a molecular weight of 155.20 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 83000950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).