N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide

C20H26FN3O2S — CID 71808436

IUPACN-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCc1nn(C2CCCC2)c2c1CCCC2
InChIInChI=1S/C20H26FN3O2S/c21-16-7-5-6-15(12-16)14-27(25,26)22-13-19-18-10-3-4-11-20(18)24(23-19)17-8-1-2-9-17/h5-7,12,17,22H,1-4,8-11,13-14H2
InChIKeyKVZCUZPSUICFBC-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.64
Rot. Bonds6

About N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide

N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide (PubChem CID 71808436) has the molecular formula C20H26FN3O2S and a molecular weight of 391.51 g/mol. Its IUPAC name is N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide
PubChem CID71808436
Molecular FormulaC20H26FN3O2S
Molecular Weight391.51 g/mol
Exact Mass391.17
IUPAC NameN-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)NCc1nn(C2CCCC2)c2c1CCCC2
InChIInChI=1S/C20H26FN3O2S/c21-16-7-5-6-15(12-16)14-27(25,26)22-13-19-18-10-3-4-11-20(18)24(23-19)17-8-1-2-9-17/h5-7,12,17,22H,1-4,8-11,13-14H2
InChIKeyKVZCUZPSUICFBC-UHFFFAOYSA-N
XLogP3.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide with MolForge

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Related Compounds

N-({4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}methyl)methanesulfonamide
CID 24826093
1-{4-[(1,1-dioxido-2-isothiazolidinyl)methyl]phenyl}-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 24953726
N-({4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}methyl)-2-propanesulfonamide
CID 24826368
N-({4-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]phenyl}methyl)cyclopropanesulfonamide
CID 24826369
1h-Pyrazolo[4,3-c]pyridine,3-(4-fluorophenyl)-1-hexyl-4,5,6,7-tetrahydro-5-methyl-,monomethanesulfonate
CID 44383790
1-benzyl-3-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methanesulfonic acid
CID 44383887
3-(4-Fluorophenyl)-1-hexyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methanesulfonic acid
CID 44384100
1h-Pyrazolo[4,3-c]pyridine,1-ethyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-5-methyl-,monomethanesulfonate
CID 44384155
1-butyl-3-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methanesulfonic acid
CID 44384209
3-(4-Fluorophenyl)-1-pentyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;methanesulfonic acid
CID 44384221
3-(4-fluorophenyl)-5-methyl-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methanesulfonic acid
CID 44384276
3-(4-fluorophenyl)-5-methyl-1-pentyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methanesulfonic acid
CID 44384283

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide (CID 71808436) is N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1cccc(F)c1)NCc1nn(C2CCCC2)c2c1CCCC2.
What is the InChIKey of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide?
The InChIKey is KVZCUZPSUICFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2S/c21-16-7-5-6-15(12-16)14-27(25,26)22-13-19-18-10-3-4-11-20(18)24(23-19)17-8-1-2-9-17/h5-7,12,17,22H,1-4,8-11,13-14H2.
What are the key properties of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide?
N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide has a molecular weight of 391.51 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-1-(3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 71808436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).