3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide

C26H25N3O3 — CID 18204409

IUPAC3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H25N3O3/c1-31-22-12-8-19(9-13-22)16-17-27-26(30)24-18-29(21-6-4-3-5-7-21)28-25(24)20-10-14-23(32-2)15-11-20/h3-15,18H,16-17H2,1-2H3,(H,27,30)
InChIKeyDJTVLLUUCKCXEY-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.53
Rot. Bonds8

About 3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide

3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 18204409) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
PubChem CID18204409
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H25N3O3/c1-31-22-12-8-19(9-13-22)16-17-27-26(30)24-18-29(21-6-4-3-5-7-21)28-25(24)20-10-14-23(32-2)15-11-20/h3-15,18H,16-17H2,1-2H3,(H,27,30)
InChIKeyDJTVLLUUCKCXEY-UHFFFAOYSA-N
XLogP4.53
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 18205735
N-[2-(4-methoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10092573
3-(4-methoxyphenyl)-1-phenyl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 55647189
N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 18205042
N-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55576920
3-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-2-phenylpropanoic acid
CID 154750619
3-(2,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 29207262
N-[3-(benzimidazol-1-yl)propyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55408128
3-(2,4-dimethoxyphenyl)-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 30101728
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
3-(3,4-dimethoxyphenyl)-1-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 16613798
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 2475115

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide (CID 18204409) is 3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide is COc1ccc(CCNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is DJTVLLUUCKCXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-31-22-12-8-19(9-13-22)16-17-27-26(30)24-18-29(21-6-4-3-5-7-21)28-25(24)20-10-14-23(32-2)15-11-20/h3-15,18H,16-17H2,1-2H3,(H,27,30).
What are the key properties of 3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide?
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 18204409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).