1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpyrazole-5-carboxamide

C27H26ClN3O3 — CID 3902581

IUPAC1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpyrazole-5-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)c2cc(-c3ccccc3)nn2-c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C27H26ClN3O3/c1-30(16-15-19-9-14-25(33-2)26(17-19)34-3)27(32)24-18-23(20-7-5-4-6-8-20)29-31(24)22-12-10-21(28)11-13-22/h4-14,17-18H,15-16H2,1-3H3
InChIKeyGHEYZKRTAAHCAA-UHFFFAOYSA-N
MW475.98 g/mol
LogP5.52
Rot. Bonds8

About 1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpyrazole-5-carboxamide

1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpyrazole-5-carboxamide (PubChem CID 3902581) has the molecular formula C27H26ClN3O3 and a molecular weight of 475.98 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpyrazole-5-carboxamide
PubChem CID3902581
Molecular FormulaC27H26ClN3O3
Molecular Weight475.98 g/mol
Exact Mass475.17
IUPAC Name1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpyrazole-5-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)c2cc(-c3ccccc3)nn2-c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C27H26ClN3O3/c1-30(16-15-19-9-14-25(33-2)26(17-19)34-3)27(32)24-18-23(20-7-5-4-6-8-20)29-31(24)22-12-10-21(28)11-13-22/h4-14,17-18H,15-16H2,1-3H3
InChIKeyGHEYZKRTAAHCAA-UHFFFAOYSA-N
XLogP5.52
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.98
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-N-methylpyrazole-5-carboxamide
CID 42660597
3-(2-chlorophenyl)-1-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrazole-5-carboxamide
CID 3506575
1-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 5203840
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)-N-methylpyrazole-5-carboxamide
CID 42660639
3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3586442
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,4-dimethylphenyl)-1-phenylpyrazole-5-carboxamide
CID 5178195
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42758331
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
CID 5224331
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide
CID 26739400
N-benzyl-1-(4-methoxyphenyl)-3-phenyl-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3434474
3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide
CID 16546557
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-fluorophenyl)-N-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 42877273

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpyrazole-5-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpyrazole-5-carboxamide (CID 3902581) is 1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpyrazole-5-carboxamide is COc1ccc(CCN(C)C(=O)c2cc(-c3ccccc3)nn2-c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpyrazole-5-carboxamide?
The InChIKey is GHEYZKRTAAHCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O3/c1-30(16-15-19-9-14-25(33-2)26(17-19)34-3)27(32)24-18-23(20-7-5-4-6-8-20)29-31(24)22-12-10-21(28)11-13-22/h4-14,17-18H,15-16H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpyrazole-5-carboxamide?
1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpyrazole-5-carboxamide has a molecular weight of 475.98 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 3902581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).