N-[3-[2-(difluoromethoxy)-5-(2-hydroxypropylsulfamoyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H21F2N7O5S — CID 155415348

IUPACN-[3-[2-(difluoromethoxy)-5-(2-hydroxypropylsulfamoyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(O)CNS(=O)(=O)c1ccc(OC(F)F)c(-c2nn(C)cc2NC(=O)c2cnn3cccnc23)c1
InChIInChI=1S/C21H21F2N7O5S/c1-12(31)9-26-36(33,34)13-4-5-17(35-21(22)23)14(8-13)18-16(11-29(2)28-18)27-20(32)15-10-25-30-7-3-6-24-19(15)30/h3-8,10-12,21,26,31H,9H2,1-2H3,(H,27,32)
InChIKeyPRTASEXUVVZKRP-UHFFFAOYSA-N
MW521.51 g/mol
LogP1.64
Rot. Bonds9

About N-[3-[2-(difluoromethoxy)-5-(2-hydroxypropylsulfamoyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-[2-(difluoromethoxy)-5-(2-hydroxypropylsulfamoyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 155415348) has the molecular formula C21H21F2N7O5S and a molecular weight of 521.51 g/mol. Its IUPAC name is N-[3-[2-(difluoromethoxy)-5-(2-hydroxypropylsulfamoyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(difluoromethoxy)-5-(2-hydroxypropylsulfamoyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID155415348
Molecular FormulaC21H21F2N7O5S
Molecular Weight521.51 g/mol
Exact Mass521.13
IUPAC NameN-[3-[2-(difluoromethoxy)-5-(2-hydroxypropylsulfamoyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(O)CNS(=O)(=O)c1ccc(OC(F)F)c(-c2nn(C)cc2NC(=O)c2cnn3cccnc23)c1
InChIInChI=1S/C21H21F2N7O5S/c1-12(31)9-26-36(33,34)13-4-5-17(35-21(22)23)14(8-13)18-16(11-29(2)28-18)27-20(32)15-10-25-30-7-3-6-24-19(15)30/h3-8,10-12,21,26,31H,9H2,1-2H3,(H,27,32)
InChIKeyPRTASEXUVVZKRP-UHFFFAOYSA-N
XLogP1.64
TPSA152.74 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.51
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[3-[2-(difluoromethoxy)-5-[(1-methyl-2-oxo-4-pyridinyl)sulfamoyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155415339
N-[3-[5-butylsulfonyl-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159259718
N-[3-[2-(difluoromethoxy)-5-[methyl(propyl)sulfamoyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158889092
N-[3-[5-(azetidin-3-ylsulfonyl)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155410483
N-[3-[2-(difluoromethoxy)-5-methylsulfanylphenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129178158
N-[3-[2-(difluoromethoxy)-5-(3-methylbutan-2-ylsulfonyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-[2-(difluoromethoxy)-5-[methyl(propyl)sulfamoyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167603285
N-[3-[2-(difluoromethoxy)-5-(1,3-difluoropropan-2-ylsulfanyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129164811
N-[3-[2-(difluoromethoxy)-5-(2-hydroxyethylsulfanyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155410458
propan-2-yl 3-[2-(difluoromethoxy)-5-methylsulfonylphenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazole-1-carboxylate
CID 155410499
N-[3-[2-(difluoromethoxy)-5-[[6-[[[3-[2-(difluoromethoxy)-5-[(1-methyl-2-oxo-4-pyridinyl)sulfonyl]phenyl]-1-methylpyrazol-4-yl]amino]-pyrazolo[1,5-a]pyrimidin-3-ylmethoxy]-3-pyridinyl]sulfonyl]phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155429389
N-[3-[5-(azetidin-3-ylsulfanyl)-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155429365
N-[3-[2-(difluoromethoxy)-5-(oxetan-3-ylsulfanyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129178193

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(difluoromethoxy)-5-(2-hydroxypropylsulfamoyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-[2-(difluoromethoxy)-5-(2-hydroxypropylsulfamoyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 155415348) is N-[3-[2-(difluoromethoxy)-5-(2-hydroxypropylsulfamoyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-[2-(difluoromethoxy)-5-(2-hydroxypropylsulfamoyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-[2-(difluoromethoxy)-5-(2-hydroxypropylsulfamoyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(O)CNS(=O)(=O)c1ccc(OC(F)F)c(-c2nn(C)cc2NC(=O)c2cnn3cccnc23)c1.
What is the InChIKey of N-[3-[2-(difluoromethoxy)-5-(2-hydroxypropylsulfamoyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PRTASEXUVVZKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N7O5S/c1-12(31)9-26-36(33,34)13-4-5-17(35-21(22)23)14(8-13)18-16(11-29(2)28-18)27-20(32)15-10-25-30-7-3-6-24-19(15)30/h3-8,10-12,21,26,31H,9H2,1-2H3,(H,27,32).
What are the key properties of N-[3-[2-(difluoromethoxy)-5-(2-hydroxypropylsulfamoyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-[2-(difluoromethoxy)-5-(2-hydroxypropylsulfamoyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 521.51 g/mol, XLogP of 1.64, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(difluoromethoxy)-5-(2-hydroxypropylsulfamoyl)phenyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 155415348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).