5-chloro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-sulfonamide

C25H29ClFN5O3S — CID 67199882

IUPAC5-chloro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N(CCO)C[C@H]1CCC2=C1[C@@H](C)C1=CNN(c3ccc(F)cc3)C1=C2
InChIInChI=1S/C25H29ClFN5O3S/c1-15-21-13-28-32(20-8-6-19(27)7-9-20)22(21)12-17-4-5-18(23(15)17)14-31(10-11-33)36(34,35)24-16(2)29-30(3)25(24)26/h6-9,12-13,15,18,28,33H,4-5,10-11,14H2,1-3H3/t15-,18+/m0/s1
InChIKeyBRBQKPLRUKNMIR-MAUKXSAKSA-N
MW534.06 g/mol
LogP3.65
Rot. Bonds7

About 5-chloro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-sulfonamide

5-chloro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 67199882) has the molecular formula C25H29ClFN5O3S and a molecular weight of 534.06 g/mol. Its IUPAC name is 5-chloro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID67199882
Molecular FormulaC25H29ClFN5O3S
Molecular Weight534.06 g/mol
Exact Mass533.17
IUPAC Name5-chloro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N(CCO)C[C@H]1CCC2=C1[C@@H](C)C1=CNN(c3ccc(F)cc3)C1=C2
InChIInChI=1S/C25H29ClFN5O3S/c1-15-21-13-28-32(20-8-6-19(27)7-9-20)22(21)12-17-4-5-18(23(15)17)14-31(10-11-33)36(34,35)24-16(2)29-30(3)25(24)26/h6-9,12-13,15,18,28,33H,4-5,10-11,14H2,1-3H3/t15-,18+/m0/s1
InChIKeyBRBQKPLRUKNMIR-MAUKXSAKSA-N
XLogP3.65
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.06
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-sulfonamide with MolForge

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Related Compounds

N-[[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]methyl]-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 44219282
5-chloro-1,3-dimethyl-N-[(2S,3R)-5,5,5-trifluoro-1-hydroxy-3-phenylpentan-2-yl]pyrazole-4-sulfonamide
CID 44223647
N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-methoxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
CID 67195872
2-chloro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 67198798
5-chloro-N-(cyclopropylmethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 67199002
5-chloro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 67199883
N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
CID 67200354
5-chloro-N-(cyanomethyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 87306307
N-(3,3-difluoro-2-hydroxypropyl)-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
CID 87306612
5-chloro-1,3-dimethyl-N-[(2S,3S)-5,5,5-trifluoro-1-hydroxy-3-phenylpentan-2-yl]pyrazole-4-sulfonamide
CID 11373660
5-chloro-N-[3-[5-(3-fluorophenyl)pyrazolidin-3-yl]propyl]-N,1,3-trimethylpyrazole-4-sulfonamide
CID 134043695
N-benzyl-5-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 3790531

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-sulfonamide (CID 67199882) is 5-chloro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)N(CCO)C[C@H]1CCC2=C1[C@@H](C)C1=CNN(c3ccc(F)cc3)C1=C2.
What is the InChIKey of 5-chloro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is BRBQKPLRUKNMIR-MAUKXSAKSA-N. The full InChI is InChI=1S/C25H29ClFN5O3S/c1-15-21-13-28-32(20-8-6-19(27)7-9-20)22(21)12-17-4-5-18(23(15)17)14-31(10-11-33)36(34,35)24-16(2)29-30(3)25(24)26/h6-9,12-13,15,18,28,33H,4-5,10-11,14H2,1-3H3/t15-,18+/m0/s1.
What are the key properties of 5-chloro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-sulfonamide?
5-chloro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 534.06 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]methyl]-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 67199882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).