1-(3-chlorophenyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]pyrazole-4-carboxamide

C19H16ClFN4O2 — CID 55974960

IUPAC1-(3-chlorophenyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]pyrazole-4-carboxamide
SMILESO=C(NCCNC(=O)c1ccccc1F)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C19H16ClFN4O2/c20-14-4-3-5-15(10-14)25-12-13(11-24-25)18(26)22-8-9-23-19(27)16-6-1-2-7-17(16)21/h1-7,10-12H,8-9H2,(H,22,26)(H,23,27)
InChIKeyHMZLXWZWZHXCEN-UHFFFAOYSA-N
MW386.81 g/mol
LogP2.82
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]pyrazole-4-carboxamide

1-(3-chlorophenyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]pyrazole-4-carboxamide (PubChem CID 55974960) has the molecular formula C19H16ClFN4O2 and a molecular weight of 386.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]pyrazole-4-carboxamide
PubChem CID55974960
Molecular FormulaC19H16ClFN4O2
Molecular Weight386.81 g/mol
Exact Mass386.09
IUPAC Name1-(3-chlorophenyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]pyrazole-4-carboxamide
SMILESO=C(NCCNC(=O)c1ccccc1F)c1cnn(-c2cccc(Cl)c2)c1
InChIInChI=1S/C19H16ClFN4O2/c20-14-4-3-5-15(10-14)25-12-13(11-24-25)18(26)22-8-9-23-19(27)16-6-1-2-7-17(16)21/h1-7,10-12H,8-9H2,(H,22,26)(H,23,27)
InChIKeyHMZLXWZWZHXCEN-UHFFFAOYSA-N
XLogP2.82
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.81
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-N-[(3S)-3-hydroxybutyl]pyrazole-4-carboxamide
CID 95980723
N'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 26246673
1-(3-chlorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyrazole-4-carboxamide
CID 55874321
N-(5-chloro-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 95235133
N-[2-(3-chlorophenyl)ethyl]-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 91486088
1-(3-chlorophenyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 112845235
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)pyrazole-4-carboxamide
CID 110899894
1-(3-chlorophenyl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-4-carboxamide
CID 49031740
N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 50772841
1-(2-chlorophenyl)-N'-(2-fluorobenzoyl)pyrazole-4-carbohydrazide
CID 49156531
1-(3-bromophenyl)-N-[2-(ethylamino)ethyl]pyrazole-4-carboxamide
CID 119505644

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]pyrazole-4-carboxamide (CID 55974960) is 1-(3-chlorophenyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]pyrazole-4-carboxamide is O=C(NCCNC(=O)c1ccccc1F)c1cnn(-c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]pyrazole-4-carboxamide?
The InChIKey is HMZLXWZWZHXCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2/c20-14-4-3-5-15(10-14)25-12-13(11-24-25)18(26)22-8-9-23-19(27)16-6-1-2-7-17(16)21/h1-7,10-12H,8-9H2,(H,22,26)(H,23,27).
What are the key properties of 1-(3-chlorophenyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]pyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]pyrazole-4-carboxamide has a molecular weight of 386.81 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-[(2-fluorobenzoyl)amino]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55974960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).