1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpyrazol-4-amine

C10H13N3O2S — CID 141233025

IUPAC1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpyrazol-4-amine
SMILESCC1(S(=O)(=O)n2cc(N)cn2)C=CC=CC1
InChIInChI=1S/C10H13N3O2S/c1-10(5-3-2-4-6-10)16(14,15)13-8-9(11)7-12-13/h2-5,7-8H,6,11H2,1H3
InChIKeyBTBVPXFKODFPMP-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.92
Rot. Bonds2

About 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpyrazol-4-amine

1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpyrazol-4-amine (PubChem CID 141233025) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpyrazol-4-amine.

Molecular Properties

Compound Name1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpyrazol-4-amine
PubChem CID141233025
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpyrazol-4-amine
SMILESCC1(S(=O)(=O)n2cc(N)cn2)C=CC=CC1
InChIInChI=1S/C10H13N3O2S/c1-10(5-3-2-4-6-10)16(14,15)13-8-9(11)7-12-13/h2-5,7-8H,6,11H2,1H3
InChIKeyBTBVPXFKODFPMP-UHFFFAOYSA-N
XLogP0.92
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpyrazol-4-amine?
The IUPAC name of 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpyrazol-4-amine (CID 141233025) is 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpyrazol-4-amine.
What is the SMILES notation for 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpyrazol-4-amine?
The canonical SMILES for 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpyrazol-4-amine is CC1(S(=O)(=O)n2cc(N)cn2)C=CC=CC1.
What is the InChIKey of 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpyrazol-4-amine?
The InChIKey is BTBVPXFKODFPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-10(5-3-2-4-6-10)16(14,15)13-8-9(11)7-12-13/h2-5,7-8H,6,11H2,1H3.
What are the key properties of 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpyrazol-4-amine?
1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpyrazol-4-amine has a molecular weight of 239.30 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexa-2,4-dien-1-yl)sulfonylpyrazol-4-amine is sourced from PubChem (CID 141233025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).