N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-sulfonamide

C14H14FN5O2S — CID 17022640

IUPACN-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccn(Cc3cccc(F)c3)n2)cn1
InChIInChI=1S/C14H14FN5O2S/c1-19-10-13(8-16-19)23(21,22)18-14-5-6-20(17-14)9-11-3-2-4-12(15)7-11/h2-8,10H,9H2,1H3,(H,17,18)
InChIKeyKYGYQUQIBNBCEZ-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.60
Rot. Bonds5

About N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-sulfonamide

N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-sulfonamide (PubChem CID 17022640) has the molecular formula C14H14FN5O2S and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-sulfonamide
PubChem CID17022640
Molecular FormulaC14H14FN5O2S
Molecular Weight335.36 g/mol
Exact Mass335.09
IUPAC NameN-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccn(Cc3cccc(F)c3)n2)cn1
InChIInChI=1S/C14H14FN5O2S/c1-19-10-13(8-16-19)23(21,22)18-14-5-6-20(17-14)9-11-3-2-4-12(15)7-11/h2-8,10H,9H2,1H3,(H,17,18)
InChIKeyKYGYQUQIBNBCEZ-UHFFFAOYSA-N
XLogP1.60
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-sulfonamide (CID 17022640) is N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2ccn(Cc3cccc(F)c3)n2)cn1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is KYGYQUQIBNBCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O2S/c1-19-10-13(8-16-19)23(21,22)18-14-5-6-20(17-14)9-11-3-2-4-12(15)7-11/h2-8,10H,9H2,1H3,(H,17,18).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-sulfonamide?
N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 335.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 17022640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).