N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide

C24H22N4O5S — CID 46535384

IUPACN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C24H22N4O5S/c1-32-22-12-11-18(34(30,31)27-16-9-10-16)14-19(22)25-24(29)21-15-20(23-8-5-13-33-23)26-28(21)17-6-3-2-4-7-17/h2-8,11-16,27H,9-10H2,1H3,(H,25,29)
InChIKeyPQUCWLSPILGAFD-UHFFFAOYSA-N
MW478.53 g/mol
LogP3.83
Rot. Bonds8

About N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide

N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide (PubChem CID 46535384) has the molecular formula C24H22N4O5S and a molecular weight of 478.53 g/mol. Its IUPAC name is N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
PubChem CID46535384
Molecular FormulaC24H22N4O5S
Molecular Weight478.53 g/mol
Exact Mass478.13
IUPAC NameN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C24H22N4O5S/c1-32-22-12-11-18(34(30,31)27-16-9-10-16)14-19(22)25-24(29)21-15-20(23-8-5-13-33-23)26-28(21)17-6-3-2-4-7-17/h2-8,11-16,27H,9-10H2,1H3,(H,25,29)
InChIKeyPQUCWLSPILGAFD-UHFFFAOYSA-N
XLogP3.83
TPSA115.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The IUPAC name of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide (CID 46535384) is N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide is COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1.
What is the InChIKey of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
The InChIKey is PQUCWLSPILGAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5S/c1-32-22-12-11-18(34(30,31)27-16-9-10-16)14-19(22)25-24(29)21-15-20(23-8-5-13-33-23)26-28(21)17-6-3-2-4-7-17/h2-8,11-16,27H,9-10H2,1H3,(H,25,29).
What are the key properties of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide?
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide has a molecular weight of 478.53 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 46535384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).