N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)benzamide

C23H25N3O3 — CID 47078841

IUPACN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)benzamide
SMILESCOc1ccc(OC)c(CN(C(=O)c2cccc(-n3ccc(C)n3)c2)C2CC2)c1
InChIInChI=1S/C23H25N3O3/c1-16-11-12-26(24-16)20-6-4-5-17(13-20)23(27)25(19-7-8-19)15-18-14-21(28-2)9-10-22(18)29-3/h4-6,9-14,19H,7-8,15H2,1-3H3
InChIKeyNUDUMJGVGZFSNS-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.00
Rot. Bonds7

About N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)benzamide

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)benzamide (PubChem CID 47078841) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)benzamide
PubChem CID47078841
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)benzamide
SMILESCOc1ccc(OC)c(CN(C(=O)c2cccc(-n3ccc(C)n3)c2)C2CC2)c1
InChIInChI=1S/C23H25N3O3/c1-16-11-12-26(24-16)20-6-4-5-17(13-20)23(27)25(19-7-8-19)15-18-14-21(28-2)9-10-22(18)29-3/h4-6,9-14,19H,7-8,15H2,1-3H3
InChIKeyNUDUMJGVGZFSNS-UHFFFAOYSA-N
XLogP4.00
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 33081027
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide
CID 33078482
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pyrazine-2-carboxamide
CID 33078253
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide
CID 33078016
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]pyridine-4-carboxylic acid
CID 122055177
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 33078983
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 33081136
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 33083677
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(ethylsulfanylmethyl)benzamide
CID 55872323
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-(trifluoromethyl)benzamide
CID 47024721
N-cyclohexyl-N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 131941918

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)benzamide (CID 47078841) is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)benzamide is COc1ccc(OC)c(CN(C(=O)c2cccc(-n3ccc(C)n3)c2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)benzamide?
The InChIKey is NUDUMJGVGZFSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-11-12-26(24-16)20-6-4-5-17(13-20)23(27)25(19-7-8-19)15-18-14-21(28-2)9-10-22(18)29-3/h4-6,9-14,19H,7-8,15H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)benzamide?
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)benzamide has a molecular weight of 391.47 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 47078841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).