N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide

C25H24N4O4S — CID 55846880

IUPACN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccc(S(=O)(=O)NC3CC3)cc2)o1
InChIInChI=1S/C25H24N4O4S/c1-17-7-14-23(33-17)24-22(16-29(27-24)20-5-3-2-4-6-20)25(30)26-15-18-8-12-21(13-9-18)34(31,32)28-19-10-11-19/h2-9,12-14,16,19,28H,10-11,15H2,1H3,(H,26,30)
InChIKeyDUXMTWSHQSYEJN-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.81
Rot. Bonds8

About N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide

N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 55846880) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID55846880
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC NameN-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccc(S(=O)(=O)NC3CC3)cc2)o1
InChIInChI=1S/C25H24N4O4S/c1-17-7-14-23(33-17)24-22(16-29(27-24)20-5-3-2-4-6-20)25(30)26-15-18-8-12-21(13-9-18)34(31,32)28-19-10-11-19/h2-9,12-14,16,19,28H,10-11,15H2,1H3,(H,26,30)
InChIKeyDUXMTWSHQSYEJN-UHFFFAOYSA-N
XLogP3.81
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55846248
N-[(3-carbamoylphenyl)methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 32636261
N-(3-methylbutyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31435539
N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 34230439
3-(5-methylfuran-2-yl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126775523
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 86974071
3-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 51159400
N-[2-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55339723
N-(2-amino-1-cyclopropylethyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119615448
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 56544293
N-[2-(4-methoxyphenoxy)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55416323

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide (CID 55846880) is N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCc2ccc(S(=O)(=O)NC3CC3)cc2)o1.
What is the InChIKey of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is DUXMTWSHQSYEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-17-7-14-23(33-17)24-22(16-29(27-24)20-5-3-2-4-6-20)25(30)26-15-18-8-12-21(13-9-18)34(31,32)28-19-10-11-19/h2-9,12-14,16,19,28H,10-11,15H2,1H3,(H,26,30).
What are the key properties of N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide?
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 55846880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).