N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C15H16FN5O2S — CID 19584261

IUPACN-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccn(Cc2cccc(F)c2)n1
InChIInChI=1S/C15H16FN5O2S/c1-10-15(11(2)18-17-10)24(22,23)20-14-6-7-21(19-14)9-12-4-3-5-13(16)8-12/h3-8H,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyCQYAJTMRKMUERU-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.21
Rot. Bonds5

About N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 19584261) has the molecular formula C15H16FN5O2S and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID19584261
Molecular FormulaC15H16FN5O2S
Molecular Weight349.39 g/mol
Exact Mass349.10
IUPAC NameN-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1ccn(Cc2cccc(F)c2)n1
InChIInChI=1S/C15H16FN5O2S/c1-10-15(11(2)18-17-10)24(22,23)20-14-6-7-21(19-14)9-12-4-3-5-13(16)8-12/h3-8H,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyCQYAJTMRKMUERU-UHFFFAOYSA-N
XLogP2.21
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3-fluorophenyl)methoxy]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110359990
N-[6-(3-fluoroanilino)pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113050025
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19404982
N-[5-(3-fluoroanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113035950
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,4-dimethylbenzenesulfonamide
CID 22203546
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19407415
2,5-difluoro-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22201923
N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19582127
3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19565719
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
CID 19550032
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-2-methylfuran-3-carboxamide
CID 35274293
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479975

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 19584261) is N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccn(Cc2cccc(F)c2)n1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is CQYAJTMRKMUERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2S/c1-10-15(11(2)18-17-10)24(22,23)20-14-6-7-21(19-14)9-12-4-3-5-13(16)8-12/h3-8H,9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 349.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 19584261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).