N-(2,4-dimethoxyphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide

C25H21FN4O4 — CID 1258367

IUPACN-(2,4-dimethoxyphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)c(OC)c1
InChIInChI=1S/C25H21FN4O4/c1-33-17-12-13-21(22(14-17)34-2)28-25(32)19-15-27-30(16-8-4-3-5-9-16)23(19)29-24(31)18-10-6-7-11-20(18)26/h3-15H,1-2H3,(H,28,32)(H,29,31)
InChIKeyIHNHKMSFIBHVAN-UHFFFAOYSA-N
MW460.47 g/mol
LogP4.53
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide

N-(2,4-dimethoxyphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide (PubChem CID 1258367) has the molecular formula C25H21FN4O4 and a molecular weight of 460.47 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
PubChem CID1258367
Molecular FormulaC25H21FN4O4
Molecular Weight460.47 g/mol
Exact Mass460.15
IUPAC NameN-(2,4-dimethoxyphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)c(OC)c1
InChIInChI=1S/C25H21FN4O4/c1-33-17-12-13-21(22(14-17)34-2)28-25(32)19-15-27-30(16-8-4-3-5-9-16)23(19)29-24(31)18-10-6-7-11-20(18)26/h3-15H,1-2H3,(H,28,32)(H,29,31)
InChIKeyIHNHKMSFIBHVAN-UHFFFAOYSA-N
XLogP4.53
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide (CID 1258367) is N-(2,4-dimethoxyphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The InChIKey is IHNHKMSFIBHVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O4/c1-33-17-12-13-21(22(14-17)34-2)28-25(32)19-15-27-30(16-8-4-3-5-9-16)23(19)29-24(31)18-10-6-7-11-20(18)26/h3-15H,1-2H3,(H,28,32)(H,29,31).
What are the key properties of N-(2,4-dimethoxyphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
N-(2,4-dimethoxyphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide has a molecular weight of 460.47 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1258367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).