1-tert-butyl-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-methylpyrazole-3-carboxamide

C27H28N4O2 — CID 46090692

IUPAC1-tert-butyl-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-methylpyrazole-3-carboxamide
SMILESCOc1cccc(-c2cccc(-c3ccc(NC(=O)c4cc(C)n(C(C)(C)C)n4)cc3)n2)c1
InChIInChI=1S/C27H28N4O2/c1-18-16-25(30-31(18)27(2,3)4)26(32)28-21-14-12-19(13-15-21)23-10-7-11-24(29-23)20-8-6-9-22(17-20)33-5/h6-17H,1-5H3,(H,28,32)
InChIKeyGWWQUCDECUKCLZ-UHFFFAOYSA-N
MW440.55 g/mol
LogP5.94
Rot. Bonds5

About 1-tert-butyl-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-methylpyrazole-3-carboxamide

1-tert-butyl-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 46090692) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 1-tert-butyl-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-methylpyrazole-3-carboxamide
PubChem CID46090692
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name1-tert-butyl-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-methylpyrazole-3-carboxamide
SMILESCOc1cccc(-c2cccc(-c3ccc(NC(=O)c4cc(C)n(C(C)(C)C)n4)cc3)n2)c1
InChIInChI=1S/C27H28N4O2/c1-18-16-25(30-31(18)27(2,3)4)26(32)28-21-14-12-19(13-15-21)23-10-7-11-24(29-23)20-8-6-9-22(17-20)33-5/h6-17H,1-5H3,(H,28,32)
InChIKeyGWWQUCDECUKCLZ-UHFFFAOYSA-N
XLogP5.94
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide
CID 46090564
3-chloro-4-fluoro-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide
CID 46090601
N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279593
N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121089505
ethyl 4-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate
CID 110336423
N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336418
N-(4-acetylphenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121088698
N-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121088704
N-(4-tert-butylphenyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide
CID 73213311
N-(4-chlorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690070
3-(3-methoxyphenyl)-1-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-5-carboxamide
CID 121089502
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 737892

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-methylpyrazole-3-carboxamide (CID 46090692) is 1-tert-butyl-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-methylpyrazole-3-carboxamide is COc1cccc(-c2cccc(-c3ccc(NC(=O)c4cc(C)n(C(C)(C)C)n4)cc3)n2)c1.
What is the InChIKey of 1-tert-butyl-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is GWWQUCDECUKCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-18-16-25(30-31(18)27(2,3)4)26(32)28-21-14-12-19(13-15-21)23-10-7-11-24(29-23)20-8-6-9-22(17-20)33-5/h6-17H,1-5H3,(H,28,32).
What are the key properties of 1-tert-butyl-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-methylpyrazole-3-carboxamide?
1-tert-butyl-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 46090692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).