1-(4-propan-2-yloxyphenyl)sulfonylpyrazol-3-amine

C12H15N3O3S — CID 110868064

IUPAC1-(4-propan-2-yloxyphenyl)sulfonylpyrazol-3-amine
SMILESCC(C)Oc1ccc(S(=O)(=O)n2ccc(N)n2)cc1
InChIInChI=1S/C12H15N3O3S/c1-9(2)18-10-3-5-11(6-4-10)19(16,17)15-8-7-12(13)14-15/h3-9H,1-2H3,(H2,13,14)
InChIKeyYQCUBEXUNATPKI-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.49
Rot. Bonds4

About 1-(4-propan-2-yloxyphenyl)sulfonylpyrazol-3-amine

1-(4-propan-2-yloxyphenyl)sulfonylpyrazol-3-amine (PubChem CID 110868064) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)sulfonylpyrazol-3-amine
PubChem CID110868064
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name1-(4-propan-2-yloxyphenyl)sulfonylpyrazol-3-amine
SMILESCC(C)Oc1ccc(S(=O)(=O)n2ccc(N)n2)cc1
InChIInChI=1S/C12H15N3O3S/c1-9(2)18-10-3-5-11(6-4-10)19(16,17)15-8-7-12(13)14-15/h3-9H,1-2H3,(H2,13,14)
InChIKeyYQCUBEXUNATPKI-UHFFFAOYSA-N
XLogP1.49
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)sulfonylpyrazol-3-amine
CID 110867998
3-methyl-1-[4-[4-(3-methylpyrazol-1-yl)sulfonylphenoxy]phenyl]sulfonylpyrazole
CID 138046155
1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole
CID 110536342
4-(4-propan-2-yloxyphenoxy)benzenesulfonyl chloride
CID 16740705
6-amino-3-(4-propan-2-yloxyphenyl)sulfonyl-1H-benzimidazol-2-one
CID 110724203
2-amino-1-(4-propan-2-yloxyphenyl)sulfonylethanol
CID 117037408
7-fluoro-3-iodo-1-[(3R,4R)-4-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]indazole
CID 90444440
4-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]benzenesulfonamide
CID 86790597
[3-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 120777080
1,3-dimethyl-4-(4-propan-2-yloxyphenyl)sulfonyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine
CID 138999045
(3S,5S)-5-methyl-1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-ol
CID 90444387
5-phenyl-7-(4-propan-2-yloxyphenyl)sulfonylpyrrolo[2,3-b]pyrazin-6-amine
CID 118611244

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)sulfonylpyrazol-3-amine?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)sulfonylpyrazol-3-amine (CID 110868064) is 1-(4-propan-2-yloxyphenyl)sulfonylpyrazol-3-amine.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)sulfonylpyrazol-3-amine?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)sulfonylpyrazol-3-amine is CC(C)Oc1ccc(S(=O)(=O)n2ccc(N)n2)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)sulfonylpyrazol-3-amine?
The InChIKey is YQCUBEXUNATPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-9(2)18-10-3-5-11(6-4-10)19(16,17)15-8-7-12(13)14-15/h3-9H,1-2H3,(H2,13,14).
What are the key properties of 1-(4-propan-2-yloxyphenyl)sulfonylpyrazol-3-amine?
1-(4-propan-2-yloxyphenyl)sulfonylpyrazol-3-amine has a molecular weight of 281.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)sulfonylpyrazol-3-amine is sourced from PubChem (CID 110868064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).