N-[3-(difluoromethoxy)phenyl]sulfonyl-1,3-dimethyl-5-(oxan-2-ylmethoxy)pyrazole-4-carboxamide

C19H23F2N3O6S — CID 166342658

IUPACN-[3-(difluoromethoxy)phenyl]sulfonyl-1,3-dimethyl-5-(oxan-2-ylmethoxy)pyrazole-4-carboxamide
SMILESCc1nn(C)c(OCC2CCCCO2)c1C(=O)NS(=O)(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H23F2N3O6S/c1-12-16(18(24(2)22-12)29-11-14-6-3-4-9-28-14)17(25)23-31(26,27)15-8-5-7-13(10-15)30-19(20)21/h5,7-8,10,14,19H,3-4,6,9,11H2,1-2H3,(H,23,25)
InChIKeyQQIHNVBZTUHXPO-UHFFFAOYSA-N
MW459.47 g/mol
LogP2.40
Rot. Bonds8

About N-[3-(difluoromethoxy)phenyl]sulfonyl-1,3-dimethyl-5-(oxan-2-ylmethoxy)pyrazole-4-carboxamide

N-[3-(difluoromethoxy)phenyl]sulfonyl-1,3-dimethyl-5-(oxan-2-ylmethoxy)pyrazole-4-carboxamide (PubChem CID 166342658) has the molecular formula C19H23F2N3O6S and a molecular weight of 459.47 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]sulfonyl-1,3-dimethyl-5-(oxan-2-ylmethoxy)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]sulfonyl-1,3-dimethyl-5-(oxan-2-ylmethoxy)pyrazole-4-carboxamide
PubChem CID166342658
Molecular FormulaC19H23F2N3O6S
Molecular Weight459.47 g/mol
Exact Mass459.13
IUPAC NameN-[3-(difluoromethoxy)phenyl]sulfonyl-1,3-dimethyl-5-(oxan-2-ylmethoxy)pyrazole-4-carboxamide
SMILESCc1nn(C)c(OCC2CCCCO2)c1C(=O)NS(=O)(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H23F2N3O6S/c1-12-16(18(24(2)22-12)29-11-14-6-3-4-9-28-14)17(25)23-31(26,27)15-8-5-7-13(10-15)30-19(20)21/h5,7-8,10,14,19H,3-4,6,9,11H2,1-2H3,(H,23,25)
InChIKeyQQIHNVBZTUHXPO-UHFFFAOYSA-N
XLogP2.40
TPSA108.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[4-(difluoromethyl)pyrimidin-2-yl]methyl]-1,3-dimethyl-5-(oxan-2-ylmethoxy)pyrazole-4-carboxamide
CID 126805531
1,3-dimethyl-5-(oxan-2-ylmethoxy)-N-[(3-phenylcyclobutyl)methyl]pyrazole-4-carboxamide
CID 126798605
3-(difluoromethoxy)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 146143726
N-[3-(difluoromethoxy)phenyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
CID 121017303
(2S)-N-(3-methylphenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269998
N-(3-methylphenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 75417596
N-(3-cyanophenyl)sulfonyl-2-(oxan-2-ylmethoxy)propanamide
CID 71882542
(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95272601
N-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55849060
N-[3-(difluoromethoxy)phenyl]sulfonyl-5-methyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 166343548
(2R)-N-(3-chlorophenyl)sulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269990
N-(3-chlorophenyl)sulfonyl-2-(oxolan-2-ylmethoxy)propanamide
CID 71884570

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]sulfonyl-1,3-dimethyl-5-(oxan-2-ylmethoxy)pyrazole-4-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]sulfonyl-1,3-dimethyl-5-(oxan-2-ylmethoxy)pyrazole-4-carboxamide (CID 166342658) is N-[3-(difluoromethoxy)phenyl]sulfonyl-1,3-dimethyl-5-(oxan-2-ylmethoxy)pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]sulfonyl-1,3-dimethyl-5-(oxan-2-ylmethoxy)pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]sulfonyl-1,3-dimethyl-5-(oxan-2-ylmethoxy)pyrazole-4-carboxamide is Cc1nn(C)c(OCC2CCCCO2)c1C(=O)NS(=O)(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]sulfonyl-1,3-dimethyl-5-(oxan-2-ylmethoxy)pyrazole-4-carboxamide?
The InChIKey is QQIHNVBZTUHXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O6S/c1-12-16(18(24(2)22-12)29-11-14-6-3-4-9-28-14)17(25)23-31(26,27)15-8-5-7-13(10-15)30-19(20)21/h5,7-8,10,14,19H,3-4,6,9,11H2,1-2H3,(H,23,25).
What are the key properties of N-[3-(difluoromethoxy)phenyl]sulfonyl-1,3-dimethyl-5-(oxan-2-ylmethoxy)pyrazole-4-carboxamide?
N-[3-(difluoromethoxy)phenyl]sulfonyl-1,3-dimethyl-5-(oxan-2-ylmethoxy)pyrazole-4-carboxamide has a molecular weight of 459.47 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]sulfonyl-1,3-dimethyl-5-(oxan-2-ylmethoxy)pyrazole-4-carboxamide is sourced from PubChem (CID 166342658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).