N-[5-chloro-2-hydroxy-4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide

C24H15ClF4N4O3 — CID 23562056

IUPACN-[5-chloro-2-hydroxy-4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Cl)c(NC(=O)c3cc(F)c(F)c(F)c3F)cc2O)nn1-c1ccccc1
InChIInChI=1S/C24H15ClF4N4O3/c1-11-7-18(32-33(11)12-5-3-2-4-6-12)24(36)31-17-9-14(25)16(10-19(17)34)30-23(35)13-8-15(26)21(28)22(29)20(13)27/h2-10,34H,1H3,(H,30,35)(H,31,36)
InChIKeyKJFHTEMDJKUXGT-UHFFFAOYSA-N
MW518.85 g/mol
LogP5.60
Rot. Bonds5

About N-[5-chloro-2-hydroxy-4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide

N-[5-chloro-2-hydroxy-4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 23562056) has the molecular formula C24H15ClF4N4O3 and a molecular weight of 518.85 g/mol. Its IUPAC name is N-[5-chloro-2-hydroxy-4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-hydroxy-4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID23562056
Molecular FormulaC24H15ClF4N4O3
Molecular Weight518.85 g/mol
Exact Mass518.08
IUPAC NameN-[5-chloro-2-hydroxy-4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Cl)c(NC(=O)c3cc(F)c(F)c(F)c3F)cc2O)nn1-c1ccccc1
InChIInChI=1S/C24H15ClF4N4O3/c1-11-7-18(32-33(11)12-5-3-2-4-6-12)24(36)31-17-9-14(25)16(10-19(17)34)30-23(35)13-8-15(26)21(28)22(29)20(13)27/h2-10,34H,1H3,(H,30,35)(H,31,36)
InChIKeyKJFHTEMDJKUXGT-UHFFFAOYSA-N
XLogP5.60
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.85
LogP ≤ 55.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-hydroxy-4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[5-chloro-2-hydroxy-4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide (CID 23562056) is N-[5-chloro-2-hydroxy-4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-hydroxy-4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-hydroxy-4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(Cl)c(NC(=O)c3cc(F)c(F)c(F)c3F)cc2O)nn1-c1ccccc1.
What is the InChIKey of N-[5-chloro-2-hydroxy-4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is KJFHTEMDJKUXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClF4N4O3/c1-11-7-18(32-33(11)12-5-3-2-4-6-12)24(36)31-17-9-14(25)16(10-19(17)34)30-23(35)13-8-15(26)21(28)22(29)20(13)27/h2-10,34H,1H3,(H,30,35)(H,31,36).
What are the key properties of N-[5-chloro-2-hydroxy-4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide?
N-[5-chloro-2-hydroxy-4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 518.85 g/mol, XLogP of 5.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-hydroxy-4-[(2,3,4,5-tetrafluorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 23562056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).