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

C27H31ClFN5O2S — CID 67199002

About 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

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 (PubChem CID 67199002) has the molecular formula C27H31ClFN5O2S and a molecular weight of 544.10 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 67199002
• Molecular Formula: C27H31ClFN5O2S
• Molecular Weight: 544.10 g/mol
• Exact Mass: 543.19
• IUPAC Name: 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
• SMILES: Cc1nn(C)c(Cl)c1S(=O)(=O)N(CC1CC1)C[C@H]1CCC2=C1[C@@H](C)C1=CNN(c3ccc(F)cc3)C1=C2
• InChI: InChI=1S/C27H31ClFN5O2S/c1-16-23-13-30-34(22-10-8-21(29)9-11-22)24(23)12-19-6-7-20(25(16)19)15-33(14-18-4-5-18)37(35,36)26-17(2)31-32(3)27(26)28/h8-13,16,18,20,30H,4-7,14-15H2,1-3H3/t16-,20+/m0/s1
• InChIKey: NPMMQGHHVSIFDJ-OXJNMPFZSA-N
• XLogP: 5.07
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.10
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1nn(C)c(Cl)c1S(=O)(=O)N(CC1CC1)C[C@H]1CCC2=C1[C@@H](C)C1=CNN(c3ccc(F)cc3)C1=C2.

What is the InChIKey of 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?

The InChIKey is NPMMQGHHVSIFDJ-OXJNMPFZSA-N. The full InChI is InChI=1S/C27H31ClFN5O2S/c1-16-23-13-30-34(22-10-8-21(29)9-11-22)24(23)12-19-6-7-20(25(16)19)15-33(14-18-4-5-18)37(35,36)26-17(2)31-32(3)27(26)28/h8-13,16,18,20,30H,4-7,14-15H2,1-3H3/t16-,20+/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 544.10 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 67199002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).