5-(furan-2-yl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-3-carboxamide

C17H18N4O4S — CID 86982220

IUPAC5-(furan-2-yl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccco2)[nH]n1)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C17H18N4O4S/c1-11(12-5-3-6-13(9-12)21-26(2,23)24)18-17(22)15-10-14(19-20-15)16-7-4-8-25-16/h3-11,21H,1-2H3,(H,18,22)(H,19,20)
InChIKeySZOXQNZFZZVWKG-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.53
Rot. Bonds6

About 5-(furan-2-yl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 86982220) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-3-carboxamide
PubChem CID86982220
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name5-(furan-2-yl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccco2)[nH]n1)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C17H18N4O4S/c1-11(12-5-3-6-13(9-12)21-26(2,23)24)18-17(22)15-10-14(19-20-15)16-7-4-8-25-16/h3-11,21H,1-2H3,(H,18,22)(H,19,20)
InChIKeySZOXQNZFZZVWKG-UHFFFAOYSA-N
XLogP2.53
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513917
5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide
CID 124848185
N-[2-[[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 51942411
N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6626158
5-(furan-2-yl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 47156334
N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 97020856
N-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 100622833
5-(furan-2-yl)-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-3-carboxamide
CID 124841426
5-(furan-2-yl)-N-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 19513850
5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 34564904
5-(furan-2-yl)-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1H-pyrazole-3-carboxamide
CID 86863853
N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119498062

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-3-carboxamide (CID 86982220) is 5-(furan-2-yl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-3-carboxamide is CC(NC(=O)c1cc(-c2ccco2)[nH]n1)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of 5-(furan-2-yl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is SZOXQNZFZZVWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-11(12-5-3-6-13(9-12)21-26(2,23)24)18-17(22)15-10-14(19-20-15)16-7-4-8-25-16/h3-11,21H,1-2H3,(H,18,22)(H,19,20).
What are the key properties of 5-(furan-2-yl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 86982220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).