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

C7H12N2O — CID 154832493

IUPAC(1S)-1-(1,4-dimethylpyrazol-5-yl)ethanol
SMILESCc1cnn(C)c1[C@H](C)O
InChIInChI=1S/C7H12N2O/c1-5-4-8-9(3)7(5)6(2)10/h4,6,10H,1-3H3/t6-/m0/s1
InChIKeyUMFKXWHLXMMJIU-LURJTMIESA-N
MW140.19 g/mol
LogP0.78
Rot. Bonds1

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

(1S)-1-(1,4-dimethylpyrazol-5-yl)ethanol (PubChem CID 154832493) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (1S)-1-(1,4-dimethylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(1,4-dimethylpyrazol-5-yl)ethanol
PubChem CID154832493
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(1S)-1-(1,4-dimethylpyrazol-5-yl)ethanol
SMILESCc1cnn(C)c1[C@H](C)O
InChIInChI=1S/C7H12N2O/c1-5-4-8-9(3)7(5)6(2)10/h4,6,10H,1-3H3/t6-/m0/s1
InChIKeyUMFKXWHLXMMJIU-LURJTMIESA-N
XLogP0.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(1-methyl-1H-pyrazol-3-yl)ethan-1-ol
CID 26370413
(1S)-1-(1-methyl-1H-pyrazol-3-yl)ethan-1-ol
CID 26370414
(1,4-dimethyl-1H-pyrazol-5-yl)methanol
CID 53818349
(1,4-dimethyl-1H-pyrazol-3-yl)methanol
CID 55264682
1-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 63961152
(1R)-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 95258266
(1R)-1-(1,4-dimethyl-1H-pyrazol-5-yl)ethan-1-ol
CID 154828527
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 63962847
(1S)-1-(1-methyl-1H-pyrazol-5-yl)ethan-1-ol
CID 95258265
(4-ethyl-1-methyl-1H-pyrazol-3-yl)methanol
CID 105422553
(1-methyl-4-(trifluoromethyl)-1H-pyrazol-5-yl)methanol
CID 124707038
2,2,2-trifluoro-1-[1-(propan-2-yl)-1H-pyrazol-5-yl]ethan-1-ol
CID 126973841

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1,4-dimethylpyrazol-5-yl)ethanol?
The IUPAC name of (1S)-1-(1,4-dimethylpyrazol-5-yl)ethanol (CID 154832493) is (1S)-1-(1,4-dimethylpyrazol-5-yl)ethanol.
What is the SMILES notation for (1S)-1-(1,4-dimethylpyrazol-5-yl)ethanol?
The canonical SMILES for (1S)-1-(1,4-dimethylpyrazol-5-yl)ethanol is Cc1cnn(C)c1[C@H](C)O.
What is the InChIKey of (1S)-1-(1,4-dimethylpyrazol-5-yl)ethanol?
The InChIKey is UMFKXWHLXMMJIU-LURJTMIESA-N. The full InChI is InChI=1S/C7H12N2O/c1-5-4-8-9(3)7(5)6(2)10/h4,6,10H,1-3H3/t6-/m0/s1.
What are the key properties of (1S)-1-(1,4-dimethylpyrazol-5-yl)ethanol?
(1S)-1-(1,4-dimethylpyrazol-5-yl)ethanol has a molecular weight of 140.19 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1,4-dimethylpyrazol-5-yl)ethanol is sourced from PubChem (CID 154832493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).