N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide

C28H29N3O4 — CID 24516009

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C28H29N3O4/c1-19-24(20(2)31(30-19)23-13-9-6-10-14-23)17-29-28(32)22-15-25(33-3)27(26(16-22)34-4)35-18-21-11-7-5-8-12-21/h5-16H,17-18H2,1-4H3,(H,29,32)
InChIKeyFQFGQSIPDZRDSS-UHFFFAOYSA-N
MW471.56 g/mol
LogP5.02
Rot. Bonds9

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide (PubChem CID 24516009) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
PubChem CID24516009
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C28H29N3O4/c1-19-24(20(2)31(30-19)23-13-9-6-10-14-23)17-29-28(32)22-15-25(33-3)27(26(16-22)34-4)35-18-21-11-7-5-8-12-21/h5-16H,17-18H2,1-4H3,(H,29,32)
InChIKeyFQFGQSIPDZRDSS-UHFFFAOYSA-N
XLogP5.02
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.56
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxy-4-methylbenzamide
CID 8531518
3-[(2,4-difluorophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
CID 19282537
3,5-dimethoxy-N-[(3-methoxyphenyl)methyl]-4-phenylmethoxybenzamide
CID 9456400
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxypropanamide
CID 35760836
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 55707132
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377629
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9377721
5,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 134013910
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-fluoro-4-methylbenzamide
CID 8531507
methyl 6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylcarbamoyl]pyridine-3-carboxylate
CID 134039468
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-[(2-fluorophenoxy)methyl]thiophene-2-carboxamide
CID 19495027

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide (CID 24516009) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)cc(OC)c1OCc1ccccc1.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The InChIKey is FQFGQSIPDZRDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-19-24(20(2)31(30-19)23-13-9-6-10-14-23)17-29-28(32)22-15-25(33-3)27(26(16-22)34-4)35-18-21-11-7-5-8-12-21/h5-16H,17-18H2,1-4H3,(H,29,32).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide has a molecular weight of 471.56 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 24516009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).