(4-methyl-3-methylsulfonyl-1-phenylpyrazol-5-yl) carbamate

C12H13N3O4S — CID 175092021

IUPAC(4-methyl-3-methylsulfonyl-1-phenylpyrazol-5-yl) carbamate
SMILESCc1c(S(C)(=O)=O)nn(-c2ccccc2)c1OC(N)=O
InChIInChI=1S/C12H13N3O4S/c1-8-10(20(2,17)18)14-15(11(8)19-12(13)16)9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,13,16)
InChIKeyJHYJEFRKXUHYFR-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.04
Rot. Bonds3

About (4-methyl-3-methylsulfonyl-1-phenylpyrazol-5-yl) carbamate

(4-methyl-3-methylsulfonyl-1-phenylpyrazol-5-yl) carbamate (PubChem CID 175092021) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is (4-methyl-3-methylsulfonyl-1-phenylpyrazol-5-yl) carbamate.

Molecular Properties

Compound Name(4-methyl-3-methylsulfonyl-1-phenylpyrazol-5-yl) carbamate
PubChem CID175092021
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name(4-methyl-3-methylsulfonyl-1-phenylpyrazol-5-yl) carbamate
SMILESCc1c(S(C)(=O)=O)nn(-c2ccccc2)c1OC(N)=O
InChIInChI=1S/C12H13N3O4S/c1-8-10(20(2,17)18)14-15(11(8)19-12(13)16)9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,13,16)
InChIKeyJHYJEFRKXUHYFR-UHFFFAOYSA-N
XLogP1.04
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-methyl-3-methylsulfonyl-1-phenylpyrazol-5-yl) carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-methylsulfonyl-1-phenylpyrazol-5-yl) carbamate?
The IUPAC name of (4-methyl-3-methylsulfonyl-1-phenylpyrazol-5-yl) carbamate (CID 175092021) is (4-methyl-3-methylsulfonyl-1-phenylpyrazol-5-yl) carbamate.
What is the SMILES notation for (4-methyl-3-methylsulfonyl-1-phenylpyrazol-5-yl) carbamate?
The canonical SMILES for (4-methyl-3-methylsulfonyl-1-phenylpyrazol-5-yl) carbamate is Cc1c(S(C)(=O)=O)nn(-c2ccccc2)c1OC(N)=O.
What is the InChIKey of (4-methyl-3-methylsulfonyl-1-phenylpyrazol-5-yl) carbamate?
The InChIKey is JHYJEFRKXUHYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-8-10(20(2,17)18)14-15(11(8)19-12(13)16)9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,13,16).
What are the key properties of (4-methyl-3-methylsulfonyl-1-phenylpyrazol-5-yl) carbamate?
(4-methyl-3-methylsulfonyl-1-phenylpyrazol-5-yl) carbamate has a molecular weight of 295.32 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-methylsulfonyl-1-phenylpyrazol-5-yl) carbamate is sourced from PubChem (CID 175092021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).