3-(3-methoxyphenyl)-1-methyl-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-5-carboxamide

C26H25N3O3 — CID 121088744

IUPAC3-(3-methoxyphenyl)-1-methyl-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3ccc(OCc4ccccc4)cc3)n(C)n2)c1
InChIInChI=1S/C26H25N3O3/c1-29-25(16-24(28-29)21-9-6-10-23(15-21)31-2)26(30)27-17-19-11-13-22(14-12-19)32-18-20-7-4-3-5-8-20/h3-16H,17-18H2,1-2H3,(H,27,30)
InChIKeyVTAXHGMXBFGJGI-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.60
Rot. Bonds8

About 3-(3-methoxyphenyl)-1-methyl-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-5-carboxamide

3-(3-methoxyphenyl)-1-methyl-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-5-carboxamide (PubChem CID 121088744) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-methyl-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-methyl-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-5-carboxamide
PubChem CID121088744
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name3-(3-methoxyphenyl)-1-methyl-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCc3ccc(OCc4ccccc4)cc3)n(C)n2)c1
InChIInChI=1S/C26H25N3O3/c1-29-25(16-24(28-29)21-9-6-10-23(15-21)31-2)26(30)27-17-19-11-13-22(14-12-19)32-18-20-7-4-3-5-8-20/h3-16H,17-18H2,1-2H3,(H,27,30)
InChIKeyVTAXHGMXBFGJGI-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-1-methyl-N-[(6-methylpyrimidin-4-yl)methyl]pyrazole-5-carboxamide
CID 122263527
N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758729
2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46590406
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 4518419
3-(3-methoxyphenyl)-1-methyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyrazole-5-carboxamide
CID 122317516
3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121088682
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 4282121
3-(2,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3333611
3-(3-methoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856863
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 122293434
2-(6-oxo-4-phenylpyrimidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 121063676
N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121089505

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-5-carboxamide (CID 121088744) is 3-(3-methoxyphenyl)-1-methyl-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-methyl-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-methoxyphenyl)-1-methyl-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)NCc3ccc(OCc4ccccc4)cc3)n(C)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-methyl-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-5-carboxamide?
The InChIKey is VTAXHGMXBFGJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-29-25(16-24(28-29)21-9-6-10-23(15-21)31-2)26(30)27-17-19-11-13-22(14-12-19)32-18-20-7-4-3-5-8-20/h3-16H,17-18H2,1-2H3,(H,27,30).
What are the key properties of 3-(3-methoxyphenyl)-1-methyl-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-5-carboxamide?
3-(3-methoxyphenyl)-1-methyl-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-5-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-methyl-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 121088744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).