N-[(2-fluorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide

C24H20FN3O2 — CID 132601725

IUPACN-[(2-fluorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccccc2F)cc1
InChIInChI=1S/C24H20FN3O2/c1-17-11-13-18(14-12-17)23-21(15-28(26-23)20-8-3-2-4-9-20)24(29)27-30-16-19-7-5-6-10-22(19)25/h2-15H,16H2,1H3,(H,27,29)
InChIKeyHVEABAGWWBLXHR-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.85
Rot. Bonds6

About N-[(2-fluorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide

N-[(2-fluorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 132601725) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID132601725
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC NameN-[(2-fluorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccccc2F)cc1
InChIInChI=1S/C24H20FN3O2/c1-17-11-13-18(14-12-17)23-21(15-28(26-23)20-8-3-2-4-9-20)24(29)27-30-16-19-7-5-6-10-22(19)25/h2-15H,16H2,1H3,(H,27,29)
InChIKeyHVEABAGWWBLXHR-UHFFFAOYSA-N
XLogP4.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 132601725) is N-[(2-fluorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccccc2F)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is HVEABAGWWBLXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-17-11-13-18(14-12-17)23-21(15-28(26-23)20-8-3-2-4-9-20)24(29)27-30-16-19-7-5-6-10-22(19)25/h2-15H,16H2,1H3,(H,27,29).
What are the key properties of N-[(2-fluorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide?
N-[(2-fluorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methoxy]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 132601725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).