1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide

C41H48N8O4S2 — CID 145393713

IUPAC1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide
SMILESCCCc1cc(-n2cc(-c3ccc(NS(=O)(=O)C(C)C)cc3)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(NS(=O)(=O)CC4CC4)cc3)cn2)ccn1
InChIInChI=1S/C21H24N4O2S.C20H24N4O2S/c1-2-3-20-12-21(10-11-22-20)25-14-18(13-23-25)17-6-8-19(9-7-17)24-28(26,27)15-16-4-5-16;1-4-5-19-12-20(10-11-21-19)24-14-17(13-22-24)16-6-8-18(9-7-16)23-27(25,26)15(2)3/h6-14,16,24H,2-5,15H2,1H3;6-15,23H,4-5H2,1-3H3
InChIKeyMRPHVOFPJSGUEU-UHFFFAOYSA-N
MW781.02 g/mol
LogP8.08
Rot. Bonds15

About 1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide

1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide (PubChem CID 145393713) has the molecular formula C41H48N8O4S2 and a molecular weight of 781.02 g/mol. Its IUPAC name is 1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide
PubChem CID145393713
Molecular FormulaC41H48N8O4S2
Molecular Weight781.02 g/mol
Exact Mass780.32
IUPAC Name1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide
SMILESCCCc1cc(-n2cc(-c3ccc(NS(=O)(=O)C(C)C)cc3)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(NS(=O)(=O)CC4CC4)cc3)cn2)ccn1
InChIInChI=1S/C21H24N4O2S.C20H24N4O2S/c1-2-3-20-12-21(10-11-22-20)25-14-18(13-23-25)17-6-8-19(9-7-17)24-28(26,27)15-16-4-5-16;1-4-5-19-12-20(10-11-21-19)24-14-17(13-22-24)16-6-8-18(9-7-16)23-27(25,26)15(2)3/h6-14,16,24H,2-5,15H2,1H3;6-15,23H,4-5H2,1-3H3
InChIKeyMRPHVOFPJSGUEU-UHFFFAOYSA-N
XLogP8.08
TPSA153.76 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.02
LogP ≤ 58.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide with MolForge

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Related Compounds

N-{[6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl]methyl}-1-phenylmethanesulfonamide
CID 122274689
1,1,1-trifluoro-N-[4-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)phenyl]methanesulfonamide
CID 51353260
N-[[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]methyl]-1-pyridin-2-yl-N-(2-pyridin-2-ylethyl)methanesulfonamide
CID 58242831
N-[1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]ethyl]-1-pyridin-3-yl-N-(2-pyridin-2-ylethyl)methanesulfonamide
CID 58242850
N-[[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]methyl]-N-[2-(2-fluorophenyl)ethyl]-1-pyridin-3-ylmethanesulfonamide
CID 58242879
N-[[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]methyl]-1-pyridin-3-yl-N-(2-pyridin-2-ylethyl)methanesulfonamide
CID 58242889
N-[[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]methyl]-1-pyridin-4-yl-N-(2-pyridin-2-ylethyl)methanesulfonamide
CID 58242911
N-[[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
CID 58242936
2,5-difluoro-N-[2-fluoro-3-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]benzenesulfonamide
CID 66729459
N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-pyridin-2-ylethyl)propane-1-sulfonamide
CID 67199611
N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-pyridin-2-ylethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 68152040
N-[[(4aR)-4a-methyl-1-(4-methylphenyl)-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]methyl]-N-[2-(2-fluorophenyl)ethyl]-1-pyridin-3-ylmethanesulfonamide
CID 68177920

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide?
The IUPAC name of 1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide (CID 145393713) is 1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide?
The canonical SMILES for 1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide is CCCc1cc(-n2cc(-c3ccc(NS(=O)(=O)C(C)C)cc3)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(NS(=O)(=O)CC4CC4)cc3)cn2)ccn1.
What is the InChIKey of 1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide?
The InChIKey is MRPHVOFPJSGUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S.C20H24N4O2S/c1-2-3-20-12-21(10-11-22-20)25-14-18(13-23-25)17-6-8-19(9-7-17)24-28(26,27)15-16-4-5-16;1-4-5-19-12-20(10-11-21-19)24-14-17(13-22-24)16-6-8-18(9-7-16)23-27(25,26)15(2)3/h6-14,16,24H,2-5,15H2,1H3;6-15,23H,4-5H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide?
1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide has a molecular weight of 781.02 g/mol, XLogP of 8.08, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide is sourced from PubChem (CID 145393713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).