(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 5-sulfamoylfuran-2-carboxylate

C17H14N4O5S — CID 46426062

IUPAC(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 5-sulfamoylfuran-2-carboxylate
SMILESCc1nn(-c2ccccc2)c(COC(=O)c2ccc(S(N)(=O)=O)o2)c1C#N
InChIInChI=1S/C17H14N4O5S/c1-11-13(9-18)14(21(20-11)12-5-3-2-4-6-12)10-25-17(22)15-7-8-16(26-15)27(19,23)24/h2-8H,10H2,1H3,(H2,19,23,24)
InChIKeyDQGWDEORDQRCNT-UHFFFAOYSA-N
MW386.39 g/mol
LogP1.65
Rot. Bonds5

About (4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 5-sulfamoylfuran-2-carboxylate

(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 5-sulfamoylfuran-2-carboxylate (PubChem CID 46426062) has the molecular formula C17H14N4O5S and a molecular weight of 386.39 g/mol. Its IUPAC name is (4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 5-sulfamoylfuran-2-carboxylate.

Molecular Properties

Compound Name(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 5-sulfamoylfuran-2-carboxylate
PubChem CID46426062
Molecular FormulaC17H14N4O5S
Molecular Weight386.39 g/mol
Exact Mass386.07
IUPAC Name(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 5-sulfamoylfuran-2-carboxylate
SMILESCc1nn(-c2ccccc2)c(COC(=O)c2ccc(S(N)(=O)=O)o2)c1C#N
InChIInChI=1S/C17H14N4O5S/c1-11-13(9-18)14(21(20-11)12-5-3-2-4-6-12)10-25-17(22)15-7-8-16(26-15)27(19,23)24/h2-8H,10H2,1H3,(H2,19,23,24)
InChIKeyDQGWDEORDQRCNT-UHFFFAOYSA-N
XLogP1.65
TPSA141.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 5-sulfamoylfuran-2-carboxylate 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-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 5-sulfamoylfuran-2-carboxylate?
The IUPAC name of (4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 5-sulfamoylfuran-2-carboxylate (CID 46426062) is (4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 5-sulfamoylfuran-2-carboxylate.
What is the SMILES notation for (4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 5-sulfamoylfuran-2-carboxylate?
The canonical SMILES for (4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 5-sulfamoylfuran-2-carboxylate is Cc1nn(-c2ccccc2)c(COC(=O)c2ccc(S(N)(=O)=O)o2)c1C#N.
What is the InChIKey of (4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 5-sulfamoylfuran-2-carboxylate?
The InChIKey is DQGWDEORDQRCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O5S/c1-11-13(9-18)14(21(20-11)12-5-3-2-4-6-12)10-25-17(22)15-7-8-16(26-15)27(19,23)24/h2-8H,10H2,1H3,(H2,19,23,24).
What are the key properties of (4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 5-sulfamoylfuran-2-carboxylate?
(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 5-sulfamoylfuran-2-carboxylate has a molecular weight of 386.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 5-sulfamoylfuran-2-carboxylate is sourced from PubChem (CID 46426062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).