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

C7H13N3O2S — CID 165473094

IUPAC(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-amine
SMILESC[C@@H](N)Cn1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C7H13N3O2S/c1-6(8)4-10-5-7(3-9-10)13(2,11)12/h3,5-6H,4,8H2,1-2H3/t6-/m1/s1
InChIKeyZGKGPNDYCIJGOY-ZCFIWIBFSA-N
MW203.27 g/mol
LogP-0.37
Rot. Bonds3

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

(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-amine (PubChem CID 165473094) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is (2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-amine
PubChem CID165473094
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC Name(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-amine
SMILESC[C@@H](N)Cn1cc(S(C)(=O)=O)cn1
InChIInChI=1S/C7H13N3O2S/c1-6(8)4-10-5-7(3-9-10)13(2,11)12/h3,5-6H,4,8H2,1-2H3/t6-/m1/s1
InChIKeyZGKGPNDYCIJGOY-ZCFIWIBFSA-N
XLogP-0.37
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol
CID 165472464
3,3-dimethyl-1-(4-methylsulfonylpyrazol-1-yl)butan-2-amine
CID 165471755
2-amino-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid
CID 165480243
1-cyclopentyl-2-(4-methylsulfonylpyrazol-1-yl)ethanamine
CID 165471759
3,3-dimethyl-2-[(4-methylsulfonylpyrazol-1-yl)methyl]butan-1-amine
CID 165478114
1-[2-(bromomethyl)-3,3-dimethylbutyl]-4-methylsulfonylpyrazole
CID 165480416
5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol
CID 165472463
1-(2-hydroxypropyl)pyrazole-4-sulfonamide
CID 130536517
4-methylsulfonyl-1-[(4-methylsulfonylphenyl)methyl]pyrazole
CID 154786420
2-cyclobutyl-3-(4-methylsulfonylpyrazol-1-yl)propanoic acid
CID 165478113
2-[2-(4-methylsulfonylpyrazol-1-yl)ethyl]aniline
CID 165472921
1-(2-methoxyethylamino)-3-(4-methylsulfonylpyrazol-1-yl)propan-2-ol
CID 165473027

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-amine?
The IUPAC name of (2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-amine (CID 165473094) is (2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-amine.
What is the SMILES notation for (2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-amine?
The canonical SMILES for (2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-amine is C[C@@H](N)Cn1cc(S(C)(=O)=O)cn1.
What is the InChIKey of (2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-amine?
The InChIKey is ZGKGPNDYCIJGOY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13N3O2S/c1-6(8)4-10-5-7(3-9-10)13(2,11)12/h3,5-6H,4,8H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-amine?
(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-amine has a molecular weight of 203.27 g/mol, XLogP of -0.37, 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-amine is sourced from PubChem (CID 165473094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).