5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide

C21H23N3O3 — CID 110336374

IUPAC5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3cccc(OC)c3)n(C)n2)cc1
InChIInChI=1S/C21H23N3O3/c1-24-20(16-5-4-6-18(13-16)27-3)14-19(23-24)21(25)22-12-11-15-7-9-17(26-2)10-8-15/h4-10,13-14H,11-12H2,1-3H3,(H,22,25)
InChIKeySGZDIBADVMWIGG-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.08
Rot. Bonds7

About 5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide

5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide (PubChem CID 110336374) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
PubChem CID110336374
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(-c3cccc(OC)c3)n(C)n2)cc1
InChIInChI=1S/C21H23N3O3/c1-24-20(16-5-4-6-18(13-16)27-3)14-19(23-24)21(25)22-12-11-15-7-9-17(26-2)10-8-15/h4-10,13-14H,11-12H2,1-3H3,(H,22,25)
InChIKeySGZDIBADVMWIGG-UHFFFAOYSA-N
XLogP3.08
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 46171148
5-(4-methoxyphenyl)-1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 46977397
1-ethyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 46104554
N-(3-acetylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336411
methyl 2-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate
CID 110336415
N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336418
N-(2-methoxy-5-methylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336407
5-(3-methoxyphenyl)-N,1-dimethyl-N-phenylpyrazole-3-carboxamide
CID 110336399
N-(2-cyanophenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336427
5-(4-fluorophenyl)-1-methyl-N-[2-(4-nitrophenyl)ethyl]pyrazole-3-carboxamide
CID 110311220
1-[(3R)-1,1-dioxothiolan-3-yl]-N-[2-(4-methoxyphenyl)ethyl]-5-phenylpyrazole-3-carboxamide
CID 42343543
N-[3-(2-methoxyphenyl)propyl]-1-methyl-5-phenylpyrazole-3-carboxamide
CID 77083429

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide (CID 110336374) is 5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide is COc1ccc(CCNC(=O)c2cc(-c3cccc(OC)c3)n(C)n2)cc1.
What is the InChIKey of 5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is SGZDIBADVMWIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-24-20(16-5-4-6-18(13-16)27-3)14-19(23-24)21(25)22-12-11-15-7-9-17(26-2)10-8-15/h4-10,13-14H,11-12H2,1-3H3,(H,22,25).
What are the key properties of 5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide?
5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110336374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).