N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide

C19H18ClN3O3 — CID 46107097

IUPACN-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cc(C)n(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C19H18ClN3O3/c1-12-8-18(22-23(12)15-6-4-14(20)5-7-15)21-19(24)13-9-16(25-2)11-17(10-13)26-3/h4-11H,1-3H3,(H,21,22,24)
InChIKeyFNRLILWCTRSGFX-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.10
Rot. Bonds5

About N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide

N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide (PubChem CID 46107097) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide
PubChem CID46107097
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC NameN-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cc(C)n(-c3ccc(Cl)cc3)n2)c1
InChIInChI=1S/C19H18ClN3O3/c1-12-8-18(22-23(12)15-6-4-14(20)5-7-15)21-19(24)13-9-16(25-2)11-17(10-13)26-3/h4-11H,1-3H3,(H,21,22,24)
InChIKeyFNRLILWCTRSGFX-UHFFFAOYSA-N
XLogP4.10
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide
CID 19283982
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 57278504
6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide
CID 46107107
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-methylthiophene-2-carboxamide
CID 46107110
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
CID 46107900
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 19337185
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886
3-cyano-N-[1-(4-cyanophenyl)-5-methylpyrazol-3-yl]benzamide
CID 46107962
N-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191963
4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide
CID 46107065
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3,5-dimethoxybenzamide
CID 19345356

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide (CID 46107097) is N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2cc(C)n(-c3ccc(Cl)cc3)n2)c1.
What is the InChIKey of N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide?
The InChIKey is FNRLILWCTRSGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-12-8-18(22-23(12)15-6-4-14(20)5-7-15)21-19(24)13-9-16(25-2)11-17(10-13)26-3/h4-11H,1-3H3,(H,21,22,24).
What are the key properties of N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide?
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide has a molecular weight of 371.82 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 46107097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).