5-tert-butyl-1-(4-fluorophenyl)-N-methyl-N-[(Z)-2-phenylethenyl]pyrazole-3-carboxamide

C23H24FN3O — CID 172676854

IUPAC5-tert-butyl-1-(4-fluorophenyl)-N-methyl-N-[(Z)-2-phenylethenyl]pyrazole-3-carboxamide
SMILESCN(/C=C\c1ccccc1)C(=O)c1cc(C(C)(C)C)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H24FN3O/c1-23(2,3)21-16-20(25-27(21)19-12-10-18(24)11-13-19)22(28)26(4)15-14-17-8-6-5-7-9-17/h5-16H,1-4H3/b15-14-
InChIKeyBQIOUCQSVKJVPP-PFONDFGASA-N
MW377.46 g/mol
LogP5.05
Rot. Bonds4

About 5-tert-butyl-1-(4-fluorophenyl)-N-methyl-N-[(Z)-2-phenylethenyl]pyrazole-3-carboxamide

5-tert-butyl-1-(4-fluorophenyl)-N-methyl-N-[(Z)-2-phenylethenyl]pyrazole-3-carboxamide (PubChem CID 172676854) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 5-tert-butyl-1-(4-fluorophenyl)-N-methyl-N-[(Z)-2-phenylethenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-1-(4-fluorophenyl)-N-methyl-N-[(Z)-2-phenylethenyl]pyrazole-3-carboxamide
PubChem CID172676854
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name5-tert-butyl-1-(4-fluorophenyl)-N-methyl-N-[(Z)-2-phenylethenyl]pyrazole-3-carboxamide
SMILESCN(/C=C\c1ccccc1)C(=O)c1cc(C(C)(C)C)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C23H24FN3O/c1-23(2,3)21-16-20(25-27(21)19-12-10-18(24)11-13-19)22(28)26(4)15-14-17-8-6-5-7-9-17/h5-16H,1-4H3/b15-14-
InChIKeyBQIOUCQSVKJVPP-PFONDFGASA-N
XLogP5.05
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-(4-fluorophenyl)-N-methyl-N-[(Z)-2-phenylethenyl]pyrazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-1-(4-fluorophenyl)-N-methyl-N-[(Z)-2-phenylethenyl]pyrazole-3-carboxamide (CID 172676854) is 5-tert-butyl-1-(4-fluorophenyl)-N-methyl-N-[(Z)-2-phenylethenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-1-(4-fluorophenyl)-N-methyl-N-[(Z)-2-phenylethenyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-1-(4-fluorophenyl)-N-methyl-N-[(Z)-2-phenylethenyl]pyrazole-3-carboxamide is CN(/C=C\c1ccccc1)C(=O)c1cc(C(C)(C)C)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-tert-butyl-1-(4-fluorophenyl)-N-methyl-N-[(Z)-2-phenylethenyl]pyrazole-3-carboxamide?
The InChIKey is BQIOUCQSVKJVPP-PFONDFGASA-N. The full InChI is InChI=1S/C23H24FN3O/c1-23(2,3)21-16-20(25-27(21)19-12-10-18(24)11-13-19)22(28)26(4)15-14-17-8-6-5-7-9-17/h5-16H,1-4H3/b15-14-.
What are the key properties of 5-tert-butyl-1-(4-fluorophenyl)-N-methyl-N-[(Z)-2-phenylethenyl]pyrazole-3-carboxamide?
5-tert-butyl-1-(4-fluorophenyl)-N-methyl-N-[(Z)-2-phenylethenyl]pyrazole-3-carboxamide has a molecular weight of 377.46 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-(4-fluorophenyl)-N-methyl-N-[(Z)-2-phenylethenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 172676854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).