[1-(2-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazol-3-yl]methyl N-methylcarbamate

C18H17FN4O5S — CID 140538114

IUPAC[1-(2-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazol-3-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1cc(S(=O)(=O)c2ccc(OC)nc2)n(-c2ccccc2F)n1
InChIInChI=1S/C18H17FN4O5S/c1-20-18(24)28-11-12-9-17(23(22-12)15-6-4-3-5-14(15)19)29(25,26)13-7-8-16(27-2)21-10-13/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyWTBRTPLUUHGRND-UHFFFAOYSA-N
MW420.42 g/mol
LogP2.10
Rot. Bonds6

About [1-(2-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazol-3-yl]methyl N-methylcarbamate

[1-(2-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazol-3-yl]methyl N-methylcarbamate (PubChem CID 140538114) has the molecular formula C18H17FN4O5S and a molecular weight of 420.42 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazol-3-yl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazol-3-yl]methyl N-methylcarbamate
PubChem CID140538114
Molecular FormulaC18H17FN4O5S
Molecular Weight420.42 g/mol
Exact Mass420.09
IUPAC Name[1-(2-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazol-3-yl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1cc(S(=O)(=O)c2ccc(OC)nc2)n(-c2ccccc2F)n1
InChIInChI=1S/C18H17FN4O5S/c1-20-18(24)28-11-12-9-17(23(22-12)15-6-4-3-5-14(15)19)29(25,26)13-7-8-16(27-2)21-10-13/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyWTBRTPLUUHGRND-UHFFFAOYSA-N
XLogP2.10
TPSA112.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-[(6-chloro-3-pyridinyl)sulfonyl]-1-(3-fluoro-2-methylphenyl)pyrazol-3-yl]ethylcarbamic acid
CID 87624928
1-[1-(2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine
CID 25234875
(E)-4-[[1-(2-fluorophenyl)-5-[(6-methyl-3-pyridinyl)sulfonyl]pyrazol-3-yl]-(methylamino)methoxy]-4-oxobut-2-enoic acid
CID 68922951
1-[1-(2-chlorophenyl)-5-[(6-methyl-3-pyridinyl)sulfonyl]pyrazol-3-yl]-N-methylmethanamine
CID 25234877
[1-[1-(2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-3,3-dimethylbutan-2-yl]carbamic acid;1-[1-(2-fluorophenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]-N-methylmethanamine;hydrochloride
CID 68753024
[5-(3-bromophenyl)sulfonyl-1-(2,5-difluorophenyl)pyrazol-3-yl]methyl N-tert-butyl-N-methylcarbamate
CID 91087408
[1-(3-fluoro-2-methylphenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]methyl-methylcarbamic acid
CID 68922455
[1-(2-chlorophenyl)-5-[(2-methoxy-4-pyridinyl)sulfonyl]pyrazol-3-yl]methyl-methylcarbamic acid
CID 68748178
1-[5-(benzenesulfonyl)-1-(2,6-difluorophenyl)pyrazol-3-yl]-N-methylmethanamine;but-2-enedioic acid
CID 68748460
2-methoxy-5-methylsulfonylpyridine
CID 13433434
[5-(4-fluorophenyl)sulfonyl-1-(2-fluoro-3-pyridinyl)pyrazol-3-yl]methanol
CID 66697772
6-(aminomethyl)-N-(6-methoxy-3-pyridinyl)pyridine-3-sulfonamide
CID 114613006

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazol-3-yl]methyl N-methylcarbamate?
The IUPAC name of [1-(2-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazol-3-yl]methyl N-methylcarbamate (CID 140538114) is [1-(2-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazol-3-yl]methyl N-methylcarbamate.
What is the SMILES notation for [1-(2-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazol-3-yl]methyl N-methylcarbamate?
The canonical SMILES for [1-(2-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazol-3-yl]methyl N-methylcarbamate is CNC(=O)OCc1cc(S(=O)(=O)c2ccc(OC)nc2)n(-c2ccccc2F)n1.
What is the InChIKey of [1-(2-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazol-3-yl]methyl N-methylcarbamate?
The InChIKey is WTBRTPLUUHGRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O5S/c1-20-18(24)28-11-12-9-17(23(22-12)15-6-4-3-5-14(15)19)29(25,26)13-7-8-16(27-2)21-10-13/h3-10H,11H2,1-2H3,(H,20,24).
What are the key properties of [1-(2-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazol-3-yl]methyl N-methylcarbamate?
[1-(2-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazol-3-yl]methyl N-methylcarbamate has a molecular weight of 420.42 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-5-[(6-methoxy-3-pyridinyl)sulfonyl]pyrazol-3-yl]methyl N-methylcarbamate is sourced from PubChem (CID 140538114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).