4-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1-phenylpyrazole-3-carboxamide

C25H20FN7O3 — CID 55992122

IUPAC4-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cn(-c3ccccc3)nc2C(=O)Nc2cc(-n3cnnn3)ccc2F)cc1OC
InChIInChI=1S/C25H20FN7O3/c1-35-22-11-8-16(12-23(22)36-2)19-14-32(17-6-4-3-5-7-17)29-24(19)25(34)28-21-13-18(9-10-20(21)26)33-15-27-30-31-33/h3-15H,1-2H3,(H,28,34)
InChIKeyPORACQFYWJQXLD-UHFFFAOYSA-N
MW485.48 g/mol
LogP3.92
Rot. Bonds7

About 4-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1-phenylpyrazole-3-carboxamide

4-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 55992122) has the molecular formula C25H20FN7O3 and a molecular weight of 485.48 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1-phenylpyrazole-3-carboxamide
PubChem CID55992122
Molecular FormulaC25H20FN7O3
Molecular Weight485.48 g/mol
Exact Mass485.16
IUPAC Name4-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cn(-c3ccccc3)nc2C(=O)Nc2cc(-n3cnnn3)ccc2F)cc1OC
InChIInChI=1S/C25H20FN7O3/c1-35-22-11-8-16(12-23(22)36-2)19-14-32(17-6-4-3-5-7-17)29-24(19)25(34)28-21-13-18(9-10-20(21)26)33-15-27-30-31-33/h3-15H,1-2H3,(H,28,34)
InChIKeyPORACQFYWJQXLD-UHFFFAOYSA-N
XLogP3.92
TPSA108.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1-phenylpyrazole-3-carboxamide (CID 55992122) is 4-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1-phenylpyrazole-3-carboxamide is COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)Nc2cc(-n3cnnn3)ccc2F)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is PORACQFYWJQXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7O3/c1-35-22-11-8-16(12-23(22)36-2)19-14-32(17-6-4-3-5-7-17)29-24(19)25(34)28-21-13-18(9-10-20(21)26)33-15-27-30-31-33/h3-15H,1-2H3,(H,28,34).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1-phenylpyrazole-3-carboxamide?
4-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 485.48 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55992122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).