N'-(4-chlorobenzoyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide

C19H11ClF6N4O2 — CID 24663557

IUPACN'-(4-chlorobenzoyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C19H11ClF6N4O2/c20-12-6-4-10(5-7-12)16(31)28-29-17(32)14-9-27-30(15(14)19(24,25)26)13-3-1-2-11(8-13)18(21,22)23/h1-9H,(H,28,31)(H,29,32)
InChIKeySCCCNDOWPPOLBI-UHFFFAOYSA-N
MW476.76 g/mol
LogP4.64
Rot. Bonds3

About N'-(4-chlorobenzoyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide

N'-(4-chlorobenzoyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide (PubChem CID 24663557) has the molecular formula C19H11ClF6N4O2 and a molecular weight of 476.76 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide
PubChem CID24663557
Molecular FormulaC19H11ClF6N4O2
Molecular Weight476.76 g/mol
Exact Mass476.05
IUPAC NameN'-(4-chlorobenzoyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C19H11ClF6N4O2/c20-12-6-4-10(5-7-12)16(31)28-29-17(32)14-9-27-30(15(14)19(24,25)26)13-3-1-2-11(8-13)18(21,22)23/h1-9H,(H,28,31)(H,29,32)
InChIKeySCCCNDOWPPOLBI-UHFFFAOYSA-N
XLogP4.64
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.76
LogP ≤ 54.64
H-Bond Donors ≤ 52
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'-(4-chlorobenzoyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide (CID 24663557) is N'-(4-chlorobenzoyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide is O=C(NNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorobenzoyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide?
The InChIKey is SCCCNDOWPPOLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF6N4O2/c20-12-6-4-10(5-7-12)16(31)28-29-17(32)14-9-27-30(15(14)19(24,25)26)13-3-1-2-11(8-13)18(21,22)23/h1-9H,(H,28,31)(H,29,32).
What are the key properties of N'-(4-chlorobenzoyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide?
N'-(4-chlorobenzoyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide has a molecular weight of 476.76 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbohydrazide is sourced from PubChem (CID 24663557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).