N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C16H20FN3O2S — CID 71806169

IUPACN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H20FN3O2S/c1-11-15(12(2)20(3)19-11)23(21,22)18-10-16(8-9-16)13-4-6-14(17)7-5-13/h4-7,18H,8-10H2,1-3H3
InChIKeyDXDCIRZNUDERBE-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.19
Rot. Bonds5

About N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 71806169) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID71806169
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H20FN3O2S/c1-11-15(12(2)20(3)19-11)23(21,22)18-10-16(8-9-16)13-4-6-14(17)7-5-13/h4-7,18H,8-10H2,1-3H3
InChIKeyDXDCIRZNUDERBE-UHFFFAOYSA-N
XLogP2.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 757080
N-[2-(4-chlorophenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 5123202
1,3-dimethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6469875
4-[1-Ethyl-4-(4-fluoro-phenyl)-5-trifluoromethyl-1H-pyrazol-3-yl]-benzenesulfonamide
CID 10223461
4-tert-butyl-2,6-dimethyl-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide
CID 17482507
US9156811, Ddd99832
CID 58561078
US9156811, Ddd99827
CID 58561225
US9156811, Ddd88560
CID 58561234
US9156811, Ddd99816
CID 58561239
US9156811, Ddd100969
CID 70908991
1,3,5-trimethyl-N-1,2,3,4-tetrahydronaphthalen-1-yl-1H-pyrazole-4-sulfonamide
CID 3243361
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 969900

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 71806169) is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCC1(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is DXDCIRZNUDERBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-11-15(12(2)20(3)19-11)23(21,22)18-10-16(8-9-16)13-4-6-14(17)7-5-13/h4-7,18H,8-10H2,1-3H3.
What are the key properties of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 337.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71806169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).