3-(3-methoxyphenyl)-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide

C19H19N3O2S — CID 121088697

IUPAC3-(3-methoxyphenyl)-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccccc3SC)n(C)n2)c1
InChIInChI=1S/C19H19N3O2S/c1-22-17(19(23)20-15-9-4-5-10-18(15)25-3)12-16(21-22)13-7-6-8-14(11-13)24-2/h4-12H,1-3H3,(H,20,23)
InChIKeyPFCHMPANEVBBNH-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.07
Rot. Bonds5

About 3-(3-methoxyphenyl)-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide

3-(3-methoxyphenyl)-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide (PubChem CID 121088697) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide
PubChem CID121088697
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name3-(3-methoxyphenyl)-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccccc3SC)n(C)n2)c1
InChIInChI=1S/C19H19N3O2S/c1-22-17(19(23)20-15-9-4-5-10-18(15)25-3)12-16(21-22)13-7-6-8-14(11-13)24-2/h4-12H,1-3H3,(H,20,23)
InChIKeyPFCHMPANEVBBNH-UHFFFAOYSA-N
XLogP4.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758735
N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121089505
N-(2,4-dimethoxypyrimidin-5-yl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 122304138
N-(4-acetylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121088698
N-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121088704
N-(4-bromo-3-methylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121088720
3-(3-methoxyphenyl)-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-5-carboxamide
CID 121089502
3-(3-methoxyphenyl)-1-methyl-N-[2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]pyrazole-5-carboxamide
CID 90563028
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121089476
N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758729
3-(3-methoxyphenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide
CID 71809697
3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121088682

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide (CID 121088697) is 3-(3-methoxyphenyl)-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)Nc3ccccc3SC)n(C)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide?
The InChIKey is PFCHMPANEVBBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-22-17(19(23)20-15-9-4-5-10-18(15)25-3)12-16(21-22)13-7-6-8-14(11-13)24-2/h4-12H,1-3H3,(H,20,23).
What are the key properties of 3-(3-methoxyphenyl)-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide?
3-(3-methoxyphenyl)-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 121088697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).