N-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide

C17H12Cl2FN3O2 — CID 25284366

IUPACN-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H12Cl2FN3O2/c1-25-15-9-23(12-5-3-11(20)4-6-12)22-16(15)17(24)21-14-7-2-10(18)8-13(14)19/h2-9H,1H3,(H,21,24)
InChIKeyFEHMTEPSRMZJBK-UHFFFAOYSA-N
MW380.21 g/mol
LogP4.58
Rot. Bonds4

About N-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide

N-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide (PubChem CID 25284366) has the molecular formula C17H12Cl2FN3O2 and a molecular weight of 380.21 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
PubChem CID25284366
Molecular FormulaC17H12Cl2FN3O2
Molecular Weight380.21 g/mol
Exact Mass379.03
IUPAC NameN-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
SMILESCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H12Cl2FN3O2/c1-25-15-9-23(12-5-3-11(20)4-6-12)22-16(15)17(24)21-14-7-2-10(18)8-13(14)19/h2-9H,1H3,(H,21,24)
InChIKeyFEHMTEPSRMZJBK-UHFFFAOYSA-N
XLogP4.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.21
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N,1-diphenylpyrazole-3-carboxamide
CID 7992430
N-(2-chloro-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992538
N-(4-fluoro-2-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 8378271
N-[(2-chlorophenyl)methyl]-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 25284348
N-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 25284367
N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 25284376
N-(2,6-difluorobenzyl)-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 42109692
N-(3-chloro-2-methylphenyl)-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 45283979
N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 25284369
1-(4-fluorophenyl)-4-methoxy-N-(3-methoxypropyl)-1H-pyrazole-3-carboxamide
CID 25284338
1-(4-fluorophenyl)-4-methoxy-N-[2-(morpholin-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 25284342
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 25284344

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide (CID 25284366) is N-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide is COc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
The InChIKey is FEHMTEPSRMZJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN3O2/c1-25-15-9-23(12-5-3-11(20)4-6-12)22-16(15)17(24)21-14-7-2-10(18)8-13(14)19/h2-9H,1H3,(H,21,24).
What are the key properties of N-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide?
N-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide has a molecular weight of 380.21 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide is sourced from PubChem (CID 25284366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).