1-(4-fluorophenyl)-3,5-dimethyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrazole-4-carbohydrazide

C25H23FN4O3 — CID 55380482

IUPAC1-(4-fluorophenyl)-3,5-dimethyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrazole-4-carbohydrazide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNC(=O)C(C)Oc1ccc2ccccc2c1
InChIInChI=1S/C25H23FN4O3/c1-15-23(16(2)30(29-15)21-11-9-20(26)10-12-21)25(32)28-27-24(31)17(3)33-22-13-8-18-6-4-5-7-19(18)14-22/h4-14,17H,1-3H3,(H,27,31)(H,28,32)
InChIKeyPDNWJEHIYOPWJA-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.01
Rot. Bonds5

About 1-(4-fluorophenyl)-3,5-dimethyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrazole-4-carbohydrazide

1-(4-fluorophenyl)-3,5-dimethyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrazole-4-carbohydrazide (PubChem CID 55380482) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,5-dimethyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,5-dimethyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrazole-4-carbohydrazide
PubChem CID55380482
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Name1-(4-fluorophenyl)-3,5-dimethyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrazole-4-carbohydrazide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNC(=O)C(C)Oc1ccc2ccccc2c1
InChIInChI=1S/C25H23FN4O3/c1-15-23(16(2)30(29-15)21-11-9-20(26)10-12-21)25(32)28-27-24(31)17(3)33-22-13-8-18-6-4-5-7-19(18)14-22/h4-14,17H,1-3H3,(H,27,31)(H,28,32)
InChIKeyPDNWJEHIYOPWJA-UHFFFAOYSA-N
XLogP4.01
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-(4-fluorophenyl)-3,5-dimethyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrazole-4-carbohydrazide?
The IUPAC name of 1-(4-fluorophenyl)-3,5-dimethyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrazole-4-carbohydrazide (CID 55380482) is 1-(4-fluorophenyl)-3,5-dimethyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrazole-4-carbohydrazide.
What is the SMILES notation for 1-(4-fluorophenyl)-3,5-dimethyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrazole-4-carbohydrazide?
The canonical SMILES for 1-(4-fluorophenyl)-3,5-dimethyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrazole-4-carbohydrazide is Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NNC(=O)C(C)Oc1ccc2ccccc2c1.
What is the InChIKey of 1-(4-fluorophenyl)-3,5-dimethyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrazole-4-carbohydrazide?
The InChIKey is PDNWJEHIYOPWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c1-15-23(16(2)30(29-15)21-11-9-20(26)10-12-21)25(32)28-27-24(31)17(3)33-22-13-8-18-6-4-5-7-19(18)14-22/h4-14,17H,1-3H3,(H,27,31)(H,28,32).
What are the key properties of 1-(4-fluorophenyl)-3,5-dimethyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrazole-4-carbohydrazide?
1-(4-fluorophenyl)-3,5-dimethyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrazole-4-carbohydrazide has a molecular weight of 446.48 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,5-dimethyl-N'-(2-naphthalen-2-yloxypropanoyl)pyrazole-4-carbohydrazide is sourced from PubChem (CID 55380482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).