1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-methylpyrazole-4-sulfonamide

C16H18FN5O2S — CID 3461359

IUPAC1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccn(Cc3ccccc3F)n2)c(C)n1
InChIInChI=1S/C16H18FN5O2S/c1-3-21-11-15(12(2)18-21)25(23,24)20-16-8-9-22(19-16)10-13-6-4-5-7-14(13)17/h4-9,11H,3,10H2,1-2H3,(H,19,20)
InChIKeyDHJNTIDLJKUAMF-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.40
Rot. Bonds6

About 1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-methylpyrazole-4-sulfonamide

1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-methylpyrazole-4-sulfonamide (PubChem CID 3461359) has the molecular formula C16H18FN5O2S and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-methylpyrazole-4-sulfonamide
PubChem CID3461359
Molecular FormulaC16H18FN5O2S
Molecular Weight363.42 g/mol
Exact Mass363.12
IUPAC Name1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-methylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccn(Cc3ccccc3F)n2)c(C)n1
InChIInChI=1S/C16H18FN5O2S/c1-3-21-11-15(12(2)18-21)25(23,24)20-16-8-9-22(19-16)10-13-6-4-5-7-14(13)17/h4-9,11H,3,10H2,1-2H3,(H,19,20)
InChIKeyDHJNTIDLJKUAMF-UHFFFAOYSA-N
XLogP2.40
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-methylpyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-methylpyrazole-4-sulfonamide (CID 3461359) is 1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-methylpyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-methylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccn(Cc3ccccc3F)n2)c(C)n1.
What is the InChIKey of 1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-methylpyrazole-4-sulfonamide?
The InChIKey is DHJNTIDLJKUAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O2S/c1-3-21-11-15(12(2)18-21)25(23,24)20-16-8-9-22(19-16)10-13-6-4-5-7-14(13)17/h4-9,11H,3,10H2,1-2H3,(H,19,20).
What are the key properties of 1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-methylpyrazole-4-sulfonamide?
1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-methylpyrazole-4-sulfonamide has a molecular weight of 363.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 3461359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).