N-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide

C18H15Cl2N3O2 — CID 121088704

IUPACN-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)n(C)n2)c1
InChIInChI=1S/C18H15Cl2N3O2/c1-23-17(18(24)21-12-6-7-14(19)15(20)9-12)10-16(22-23)11-4-3-5-13(8-11)25-2/h3-10H,1-2H3,(H,21,24)
InChIKeyXMWOVUCWFDYMNM-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.65
Rot. Bonds4

About N-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide

N-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 121088704) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID121088704
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC NameN-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)n(C)n2)c1
InChIInChI=1S/C18H15Cl2N3O2/c1-23-17(18(24)21-12-6-7-14(19)15(20)9-12)10-16(22-23)11-4-3-5-13(8-11)25-2/h3-10H,1-2H3,(H,21,24)
InChIKeyXMWOVUCWFDYMNM-UHFFFAOYSA-N
XLogP4.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121089505
N-(4-bromo-3-methylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121088720
N-(4-acetylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121088698
3-(3-methoxyphenyl)-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-5-carboxamide
CID 121089502
N-(2-fluorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758735
3-(3-methoxyphenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide
CID 71809697
3-(3-methoxyphenyl)-1-methyl-N-(2-methylsulfanylphenyl)pyrazole-5-carboxamide
CID 121088697
N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481236
3-(3-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide
CID 90595519
N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 5021032
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 121088743
3-(3-methoxyphenyl)-1-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide
CID 122354772

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide (CID 121088704) is N-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)n(C)n2)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is XMWOVUCWFDYMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-23-17(18(24)21-12-6-7-14(19)15(20)9-12)10-16(22-23)11-4-3-5-13(8-11)25-2/h3-10H,1-2H3,(H,21,24).
What are the key properties of N-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
N-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 376.24 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 121088704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).