5-[4-(difluoromethylsulfonylamino)-3-hydroxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide

C15H13F2N7O4S — CID 170053022

IUPAC5-[4-(difluoromethylsulfonylamino)-3-hydroxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(Nc2cnccn2)n[nH]c1-c1ccc(NS(=O)(=O)C(F)F)c(O)c1
InChIInChI=1S/C15H13F2N7O4S/c16-15(17)29(27,28)24-8-2-1-7(5-9(8)25)12-11(13(18)26)14(23-22-12)21-10-6-19-3-4-20-10/h1-6,15,24-25H,(H2,18,26)(H2,20,21,22,23)
InChIKeyWOXWFVBMISOJBV-UHFFFAOYSA-N
MW425.38 g/mol
LogP1.38
Rot. Bonds7

About 5-[4-(difluoromethylsulfonylamino)-3-hydroxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide

5-[4-(difluoromethylsulfonylamino)-3-hydroxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide (PubChem CID 170053022) has the molecular formula C15H13F2N7O4S and a molecular weight of 425.38 g/mol. Its IUPAC name is 5-[4-(difluoromethylsulfonylamino)-3-hydroxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-(difluoromethylsulfonylamino)-3-hydroxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide
PubChem CID170053022
Molecular FormulaC15H13F2N7O4S
Molecular Weight425.38 g/mol
Exact Mass425.07
IUPAC Name5-[4-(difluoromethylsulfonylamino)-3-hydroxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(Nc2cnccn2)n[nH]c1-c1ccc(NS(=O)(=O)C(F)F)c(O)c1
InChIInChI=1S/C15H13F2N7O4S/c16-15(17)29(27,28)24-8-2-1-7(5-9(8)25)12-11(13(18)26)14(23-22-12)21-10-6-19-3-4-20-10/h1-6,15,24-25H,(H2,18,26)(H2,20,21,22,23)
InChIKeyWOXWFVBMISOJBV-UHFFFAOYSA-N
XLogP1.38
TPSA175.98 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.38
LogP ≤ 51.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-[3-[(1S)-1-(4-chlorophenyl)ethoxy]-4-(difluoromethylsulfonylamino)phenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide
CID 166905178
5-[4-(difluoromethylsulfonylamino)-2-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide
CID 166905103
3-[(5-cyclopropylpyrazin-2-yl)amino]-5-[4-(difluoromethylsulfonylamino)-3-[2-(4-fluorophenyl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide
CID 175430511
5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)cyclopropyl]oxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide;5-[4-(difluoromethylsulfonylamino)-3-[1-(4-fluorophenyl)ethoxy]phenyl]-3-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-1H-pyrazole-4-carboxamide
CID 175430509
5-[4-(difluoromethylsulfonylamino)-3-[2-(4-fluorophenyl)ethoxy]phenyl]-3-[(5-methoxy-1-methylpyrazol-3-yl)amino]-1H-pyrazole-4-carboxamide
CID 175430517
3-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-5-[4-(difluoromethylsulfonylamino)-3-[(1S)-1-(4-fluorophenyl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide
CID 166905099
3-[[5-(1-adamantyl)-1,2-oxazol-3-yl]amino]-5-[4-(difluoromethylsulfonylamino)-3-[2-(4-fluorophenyl)ethoxy]phenyl]-1H-pyrazole-4-carboxamide
CID 175430553
5-[4-(difluoromethylsulfonylamino)-3-[2-(4-fluorophenyl)ethoxy]phenyl]-3-[[5-(4-methyloxan-4-yl)-1,2-oxazol-3-yl]amino]-1H-pyrazole-4-carboxamide
CID 175430526
5-[4-(ethylsulfonylamino)-2-[(4-fluorophenyl)methoxy]phenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide
CID 166904985
5-[4-(ethylsulfonylamino)-3-[(4-fluorophenyl)methoxy]phenyl]-3-[(5-methylpyrazin-2-yl)amino]-1H-pyrazole-4-carboxamide
CID 166905167
5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carboxamide
CID 170044357
5-[3-[(1S)-1-(4-fluorophenyl)ethoxy]-4-(2,2,2-trifluoroethylsulfonylamino)phenyl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyrazole-4-carboxamide
CID 166905181

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethylsulfonylamino)-3-hydroxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[4-(difluoromethylsulfonylamino)-3-hydroxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide (CID 170053022) is 5-[4-(difluoromethylsulfonylamino)-3-hydroxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[4-(difluoromethylsulfonylamino)-3-hydroxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[4-(difluoromethylsulfonylamino)-3-hydroxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide is NC(=O)c1c(Nc2cnccn2)n[nH]c1-c1ccc(NS(=O)(=O)C(F)F)c(O)c1.
What is the InChIKey of 5-[4-(difluoromethylsulfonylamino)-3-hydroxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide?
The InChIKey is WOXWFVBMISOJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N7O4S/c16-15(17)29(27,28)24-8-2-1-7(5-9(8)25)12-11(13(18)26)14(23-22-12)21-10-6-19-3-4-20-10/h1-6,15,24-25H,(H2,18,26)(H2,20,21,22,23).
What are the key properties of 5-[4-(difluoromethylsulfonylamino)-3-hydroxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide?
5-[4-(difluoromethylsulfonylamino)-3-hydroxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide has a molecular weight of 425.38 g/mol, XLogP of 1.38, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethylsulfonylamino)-3-hydroxyphenyl]-3-(pyrazin-2-ylamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 170053022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).