1-(4-tert-butylphenyl)sulfonylpyrazol-3-amine

C13H17N3O2S — CID 110868062

IUPAC1-(4-tert-butylphenyl)sulfonylpyrazol-3-amine
SMILESCC(C)(C)c1ccc(S(=O)(=O)n2ccc(N)n2)cc1
InChIInChI=1S/C13H17N3O2S/c1-13(2,3)10-4-6-11(7-5-10)19(17,18)16-9-8-12(14)15-16/h4-9H,1-3H3,(H2,14,15)
InChIKeyCFJTVFNGRCWPKA-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.00
Rot. Bonds2

About 1-(4-tert-butylphenyl)sulfonylpyrazol-3-amine

1-(4-tert-butylphenyl)sulfonylpyrazol-3-amine (PubChem CID 110868062) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonylpyrazol-3-amine
PubChem CID110868062
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name1-(4-tert-butylphenyl)sulfonylpyrazol-3-amine
SMILESCC(C)(C)c1ccc(S(=O)(=O)n2ccc(N)n2)cc1
InChIInChI=1S/C13H17N3O2S/c1-13(2,3)10-4-6-11(7-5-10)19(17,18)16-9-8-12(14)15-16/h4-9H,1-3H3,(H2,14,15)
InChIKeyCFJTVFNGRCWPKA-UHFFFAOYSA-N
XLogP2.00
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)sulfonylpyrazol-3-amine
CID 110867998
1-(4-tert-butylphenyl)sulfonylpyrazole
CID 843460
1-(4-tert-butylphenyl)sulfonyl-4-phenylpyrazol-3-amine
CID 2992755
1-(3-nitrophenyl)sulfonylpyrazol-3-amine
CID 110868070
1-(5-bromothiophen-2-yl)sulfonylpyrazol-3-amine
CID 110868060
4-(4-tert-butylphenyl)-1-(4-methylphenyl)sulfonyltriazole
CID 171851935
p-t-Butylbenzenesulfonamide potassium
CID 66748434
4-(4-tert-butylphenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 91029877
3-methyl-1-[4-[4-(3-methylpyrazol-1-yl)sulfonylphenoxy]phenyl]sulfonylpyrazole
CID 138046155
zinc bis(4-tert-butylbenzenesulfonate)
CID 139716478
1-tert-butyl-4-methylsulfonylbenzene;ethane
CID 144874881
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 4510553

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonylpyrazol-3-amine?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonylpyrazol-3-amine (CID 110868062) is 1-(4-tert-butylphenyl)sulfonylpyrazol-3-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonylpyrazol-3-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonylpyrazol-3-amine is CC(C)(C)c1ccc(S(=O)(=O)n2ccc(N)n2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonylpyrazol-3-amine?
The InChIKey is CFJTVFNGRCWPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-13(2,3)10-4-6-11(7-5-10)19(17,18)16-9-8-12(14)15-16/h4-9H,1-3H3,(H2,14,15).
What are the key properties of 1-(4-tert-butylphenyl)sulfonylpyrazol-3-amine?
1-(4-tert-butylphenyl)sulfonylpyrazol-3-amine has a molecular weight of 279.37 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonylpyrazol-3-amine is sourced from PubChem (CID 110868062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).