formic acid;2-[4-(3-methoxyphenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]-N-methylethanesulfonamide

C18H23N5O5S — CID 171339266

IUPACformic acid;2-[4-(3-methoxyphenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCn1cnc(-c2cccc(OC)c2)c1-c1ccn(C)n1.O=CO
InChIInChI=1S/C17H21N5O3S.CH2O2/c1-18-26(23,24)10-9-22-12-19-16(13-5-4-6-14(11-13)25-3)17(22)15-7-8-21(2)20-15;2-1-3/h4-8,11-12,18H,9-10H2,1-3H3;1H,(H,2,3)
InChIKeyPEDGGQCPUSRJDL-UHFFFAOYSA-N
MW421.48 g/mol
LogP1.21
Rot. Bonds7

About formic acid;2-[4-(3-methoxyphenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]-N-methylethanesulfonamide

formic acid;2-[4-(3-methoxyphenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]-N-methylethanesulfonamide (PubChem CID 171339266) has the molecular formula C18H23N5O5S and a molecular weight of 421.48 g/mol. Its IUPAC name is formic acid;2-[4-(3-methoxyphenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]-N-methylethanesulfonamide.

Molecular Properties

Compound Nameformic acid;2-[4-(3-methoxyphenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]-N-methylethanesulfonamide
PubChem CID171339266
Molecular FormulaC18H23N5O5S
Molecular Weight421.48 g/mol
Exact Mass421.14
IUPAC Nameformic acid;2-[4-(3-methoxyphenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCn1cnc(-c2cccc(OC)c2)c1-c1ccn(C)n1.O=CO
InChIInChI=1S/C17H21N5O3S.CH2O2/c1-18-26(23,24)10-9-22-12-19-16(13-5-4-6-14(11-13)25-3)17(22)15-7-8-21(2)20-15;2-1-3/h4-8,11-12,18H,9-10H2,1-3H3;1H,(H,2,3)
InChIKeyPEDGGQCPUSRJDL-UHFFFAOYSA-N
XLogP1.21
TPSA128.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-methoxyphenyl)-5-(6-methyl-2-pyridinyl)imidazol-1-yl]-N-methylethanesulfonamide
CID 169414043
3-(3-methoxyphenyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
CID 70776702
3-(4,5-diphenylimidazol-1-yl)-N-[(Z)-(3-methoxyphenyl)methylideneamino]propanamide
CID 35583303
2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 82271855
5-amino-1-(3-hydroxypropyl)-3-(3-methoxyphenyl)pyrazole-4-carbaldehyde
CID 82360596
1-[2-[5-cyclohex-3-en-1-yl-4-(3-methoxyphenyl)imidazol-1-yl]ethyl]pyrrolidin-2-one;formic acid
CID 171710054
5-(2-fluoro-3-methoxyphenyl)-1-(2-methylsulfonylethyl)-4-phenylimidazole
CID 50980699
5-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 154844159
2-[5-amino-4-formyl-3-(3-methoxyphenyl)pyrazol-1-yl]acetic acid
CID 82360578
4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119565
methyl 4-[5-(2-fluoro-5-methoxyphenyl)-4-phenylimidazol-1-yl]butanoate
CID 50972369
3-(3-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1-phenylpyrazole-4-carboxamide
CID 31845892

Frequently Asked Questions

What is the IUPAC name of formic acid;2-[4-(3-methoxyphenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]-N-methylethanesulfonamide?
The IUPAC name of formic acid;2-[4-(3-methoxyphenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]-N-methylethanesulfonamide (CID 171339266) is formic acid;2-[4-(3-methoxyphenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]-N-methylethanesulfonamide.
What is the SMILES notation for formic acid;2-[4-(3-methoxyphenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]-N-methylethanesulfonamide?
The canonical SMILES for formic acid;2-[4-(3-methoxyphenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]-N-methylethanesulfonamide is CNS(=O)(=O)CCn1cnc(-c2cccc(OC)c2)c1-c1ccn(C)n1.O=CO.
What is the InChIKey of formic acid;2-[4-(3-methoxyphenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]-N-methylethanesulfonamide?
The InChIKey is PEDGGQCPUSRJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S.CH2O2/c1-18-26(23,24)10-9-22-12-19-16(13-5-4-6-14(11-13)25-3)17(22)15-7-8-21(2)20-15;2-1-3/h4-8,11-12,18H,9-10H2,1-3H3;1H,(H,2,3).
What are the key properties of formic acid;2-[4-(3-methoxyphenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]-N-methylethanesulfonamide?
formic acid;2-[4-(3-methoxyphenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]-N-methylethanesulfonamide has a molecular weight of 421.48 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-[4-(3-methoxyphenyl)-5-(1-methylpyrazol-3-yl)imidazol-1-yl]-N-methylethanesulfonamide is sourced from PubChem (CID 171339266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).