N-[2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide

C19H20F2N4O4S — CID 21091079

IUPACN-[2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
SMILESCOc1ccc(-n2nc(C(F)F)cc2-c2ccc(OCCNS(C)(=O)=O)cc2)cn1
InChIInChI=1S/C19H20F2N4O4S/c1-28-18-8-5-14(12-22-18)25-17(11-16(24-25)19(20)21)13-3-6-15(7-4-13)29-10-9-23-30(2,26)27/h3-8,11-12,19,23H,9-10H2,1-2H3
InChIKeyCBBJWPPBEAHSEA-UHFFFAOYSA-N
MW438.46 g/mol
LogP2.81
Rot. Bonds9

About N-[2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide

N-[2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide (PubChem CID 21091079) has the molecular formula C19H20F2N4O4S and a molecular weight of 438.46 g/mol. Its IUPAC name is N-[2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
PubChem CID21091079
Molecular FormulaC19H20F2N4O4S
Molecular Weight438.46 g/mol
Exact Mass438.12
IUPAC NameN-[2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
SMILESCOc1ccc(-n2nc(C(F)F)cc2-c2ccc(OCCNS(C)(=O)=O)cc2)cn1
InChIInChI=1S/C19H20F2N4O4S/c1-28-18-8-5-14(12-22-18)25-17(11-16(24-25)19(20)21)13-3-6-15(7-4-13)29-10-9-23-30(2,26)27/h3-8,11-12,19,23H,9-10H2,1-2H3
InChIKeyCBBJWPPBEAHSEA-UHFFFAOYSA-N
XLogP2.81
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanol
CID 58806821
N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
CID 21091094
2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]acetonitrile
CID 58806626
2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenoxy]ethylurea
CID 21091103
4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenol
CID 135990947
5-[3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazol-5-yl]-2-methoxypyridine
CID 154339032
N-[2-[4-[1-(4-methoxyphenyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
CID 21091096
N-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
CID 58806843
2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea
CID 21091069
2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethylurea
CID 21091099
2-[4-[3-(2,2-difluoroethoxy)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanamine;dihydrochloride
CID 21090765
2-[4-[3-(2-hydroxypropan-2-yl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylcarbamic acid
CID 69333103

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide (CID 21091079) is N-[2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide is COc1ccc(-n2nc(C(F)F)cc2-c2ccc(OCCNS(C)(=O)=O)cc2)cn1.
What is the InChIKey of N-[2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide?
The InChIKey is CBBJWPPBEAHSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O4S/c1-28-18-8-5-14(12-22-18)25-17(11-16(24-25)19(20)21)13-3-6-15(7-4-13)29-10-9-23-30(2,26)27/h3-8,11-12,19,23H,9-10H2,1-2H3.
What are the key properties of N-[2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide?
N-[2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide has a molecular weight of 438.46 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide is sourced from PubChem (CID 21091079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).