N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]methanesulfonamide

C21H24N4O4S — CID 21091094

IUPACN-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
SMILESC=C(C)c1cc(-c2ccc(OCCNS(C)(=O)=O)cc2)n(-c2ccc(OC)nc2)n1
InChIInChI=1S/C21H24N4O4S/c1-15(2)19-13-20(25(24-19)17-7-10-21(28-3)22-14-17)16-5-8-18(9-6-16)29-12-11-23-30(4,26)27/h5-10,13-14,23H,1,11-12H2,2-4H3
InChIKeyCKMDGZHBZABLJA-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.90
Rot. Bonds9

About N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]methanesulfonamide

N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]methanesulfonamide (PubChem CID 21091094) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
PubChem CID21091094
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC NameN-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
SMILESC=C(C)c1cc(-c2ccc(OCCNS(C)(=O)=O)cc2)n(-c2ccc(OC)nc2)n1
InChIInChI=1S/C21H24N4O4S/c1-15(2)19-13-20(25(24-19)17-7-10-21(28-3)22-14-17)16-5-8-18(9-6-16)29-12-11-23-30(4,26)27/h5-10,13-14,23H,1,11-12H2,2-4H3
InChIKeyCKMDGZHBZABLJA-UHFFFAOYSA-N
XLogP2.90
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.90
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

N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]carbamate
CID 21090821
N-[2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
CID 21091079
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-ylpyrazol-5-yl]phenoxy]ethylurea
CID 21091103
2-[4-[3-(2-hydroxypropan-2-yl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylcarbamic acid
CID 69333103
2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethylurea
CID 21091099
2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanol
CID 58806821
2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanol;hydrochloride
CID 159291199
N-ethyl-5-[4-[2-(methanesulfonamido)ethyl]phenyl]-1-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide
CID 58806813
N-[[4-[1-(6-methoxy-3-pyridinyl)-3-(piperidine-1-carbonyl)pyrazol-5-yl]phenyl]methyl]ethanesulfonamide
CID 154455929

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]methanesulfonamide (CID 21091094) is N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]methanesulfonamide is C=C(C)c1cc(-c2ccc(OCCNS(C)(=O)=O)cc2)n(-c2ccc(OC)nc2)n1.
What is the InChIKey of N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]methanesulfonamide?
The InChIKey is CKMDGZHBZABLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-15(2)19-13-20(25(24-19)17-7-10-21(28-3)22-14-17)16-5-8-18(9-6-16)29-12-11-23-30(4,26)27/h5-10,13-14,23H,1,11-12H2,2-4H3.
What are the key properties of N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]methanesulfonamide?
N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]methanesulfonamide has a molecular weight of 428.51 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]methanesulfonamide is sourced from PubChem (CID 21091094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).