(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol

C7H13N3O — CID 96635093

IUPAC(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
SMILESCc1c([C@H](O)CN)cnn1C
InChIInChI=1S/C7H13N3O/c1-5-6(7(11)3-8)4-9-10(5)2/h4,7,11H,3,8H2,1-2H3/t7-/m1/s1
InChIKeyLFQVYMPJTSJFIA-SSDOTTSWSA-N
MW155.20 g/mol
LogP-0.28
Rot. Bonds2

About (1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol

(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol (PubChem CID 96635093) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
PubChem CID96635093
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
SMILESCc1c([C@H](O)CN)cnn1C
InChIInChI=1S/C7H13N3O/c1-5-6(7(11)3-8)4-9-10(5)2/h4,7,11H,3,8H2,1-2H3/t7-/m1/s1
InChIKeyLFQVYMPJTSJFIA-SSDOTTSWSA-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

(1S)-3-amino-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol
CID 96631923
1-(1,5-dimethylpyrazol-4-yl)butan-1-ol
CID 79584948
1-(1,5-dimethylpyrazol-4-yl)decan-1-ol
CID 79584764
1-(1,5-dimethylpyrazol-4-yl)tridecan-1-ol
CID 79569749
2-(aminomethyl)-1-(1,5-dimethylpyrazol-4-yl)pentan-1-ol
CID 79595137
2-cyclobutyl-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 105100749
4-amino-3-(1,5-dimethylpyrazol-4-yl)butanoic acid
CID 79595352
3-cyclopropyl-1-(1,5-dimethylpyrazol-4-yl)propan-1-ol
CID 105105760
1-(1,5-dimethylpyrazol-4-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 79584013
2-(cyclopropylamino)-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 79584520
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744159
1-(1,5-dimethylpyrazol-4-yl)-2-(5-ethylthiophen-2-yl)ethanol
CID 79583541

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol?
The IUPAC name of (1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol (CID 96635093) is (1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for (1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol?
The canonical SMILES for (1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol is Cc1c([C@H](O)CN)cnn1C.
What is the InChIKey of (1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol?
The InChIKey is LFQVYMPJTSJFIA-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5-6(7(11)3-8)4-9-10(5)2/h4,7,11H,3,8H2,1-2H3/t7-/m1/s1.
What are the key properties of (1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol?
(1S)-2-amino-1-(1,5-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 (1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 96635093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).