(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol

C7H12N2O3S — CID 165472464

IUPAC(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol
SMILESC[C@@H](O)Cn1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C7H12N2O3S/c1-6(10)4-9-5-7(3-8-9)13(2,11)12/h3,5-6,10H,4H2,1-2H3/t6-/m1/s1
InChIKeyNATCZIZEGKWIOS-ZCFIWIBFSA-N
MW204.25 g/mol
LogP-0.33
Rot. Bonds3

About (2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol

(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol (PubChem CID 165472464) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is (2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol
PubChem CID165472464
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol
SMILESC[C@@H](O)Cn1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C7H12N2O3S/c1-6(10)4-9-5-7(3-8-9)13(2,11)12/h3,5-6,10H,4H2,1-2H3/t6-/m1/s1
InChIKeyNATCZIZEGKWIOS-ZCFIWIBFSA-N
XLogP-0.33
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxypropyl)pyrazole-4-sulfonamide
CID 130536517
(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-amine
CID 165473094
5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol
CID 165472463
2-amino-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid
CID 165480243
3,3-dimethyl-1-(4-methylsulfonylpyrazol-1-yl)butan-2-amine
CID 165471755
1-[2-(bromomethyl)-3,3-dimethylbutyl]-4-methylsulfonylpyrazole
CID 165480416
3,3-dimethyl-2-[(4-methylsulfonylpyrazol-1-yl)methyl]butan-1-amine
CID 165478114
1-(2-methoxyethylamino)-3-(4-methylsulfonylpyrazol-1-yl)propan-2-ol
CID 165473027
2-cyclobutyl-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid
CID 165478113
1-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)ethanamine
CID 165471759
(2R)-1-(4-bromopyrazol-1-yl)propan-2-ol
CID 93455524
1-[(2R)-2-hydroxypropyl]-N,N-bis[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 146797793

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol (CID 165472464) is (2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol is C[C@@H](O)Cn1cc(S(C)(=O)=O)cn1.
What is the InChIKey of (2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol?
The InChIKey is NATCZIZEGKWIOS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-6(10)4-9-5-7(3-8-9)13(2,11)12/h3,5-6,10H,4H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol?
(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol has a molecular weight of 204.25 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 165472464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).