(2R)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]butane-2-sulfonamide

C15H22N4O2S — CID 95974510

IUPAC(2R)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]butane-2-sulfonamide
SMILESCC[C@@H](C)S(=O)(=O)NCc1ccc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C15H22N4O2S/c1-5-13(4)22(20,21)17-10-14-6-7-15(16-9-14)19-12(3)8-11(2)18-19/h6-9,13,17H,5,10H2,1-4H3/t13-/m1/s1
InChIKeySYIJPPXBZLXBIC-CYBMUJFWSA-N
MW322.43 g/mol
LogP2.10
Rot. Bonds6

About (2R)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]butane-2-sulfonamide

(2R)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]butane-2-sulfonamide (PubChem CID 95974510) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is (2R)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]butane-2-sulfonamide.

Molecular Properties

Compound Name(2R)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]butane-2-sulfonamide
PubChem CID95974510
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name(2R)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]butane-2-sulfonamide
SMILESCC[C@@H](C)S(=O)(=O)NCc1ccc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C15H22N4O2S/c1-5-13(4)22(20,21)17-10-14-6-7-15(16-9-14)19-12(3)8-11(2)18-19/h6-9,13,17H,5,10H2,1-4H3/t13-/m1/s1
InChIKeySYIJPPXBZLXBIC-CYBMUJFWSA-N
XLogP2.10
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3,5-difluorobenzenesulfonamide
CID 47065133
1-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]butan-2-amine
CID 80634984
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)methanamine
CID 47052510
(E)-2-(4-chlorophenyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]ethenesulfonamide
CID 55914931
4-chloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-nitrobenzenesulfonamide
CID 55913910
2-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(4-methylphenyl)acetamide
CID 120669656
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 55914416
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-6-methylpyridin-2-amine
CID 133482153
1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea
CID 51084393
1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-(3-ethoxy-4-methylpentyl)-2-methylguanidine
CID 111718786
1-(ethylamino)-N-[(6-methyl-3-pyridinyl)methyl]propane-2-sulfonamide
CID 114141265
1-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848586

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]butane-2-sulfonamide?
The IUPAC name of (2R)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]butane-2-sulfonamide (CID 95974510) is (2R)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]butane-2-sulfonamide.
What is the SMILES notation for (2R)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]butane-2-sulfonamide?
The canonical SMILES for (2R)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]butane-2-sulfonamide is CC[C@@H](C)S(=O)(=O)NCc1ccc(-n2nc(C)cc2C)nc1.
What is the InChIKey of (2R)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]butane-2-sulfonamide?
The InChIKey is SYIJPPXBZLXBIC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-5-13(4)22(20,21)17-10-14-6-7-15(16-9-14)19-12(3)8-11(2)18-19/h6-9,13,17H,5,10H2,1-4H3/t13-/m1/s1.
What are the key properties of (2R)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]butane-2-sulfonamide?
(2R)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]butane-2-sulfonamide has a molecular weight of 322.43 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]butane-2-sulfonamide is sourced from PubChem (CID 95974510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).