N-[2-(2,4-dichlorophenoxy)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide

C18H14Cl2FN3O2 — CID 163527402

IUPACN-[2-(2,4-dichlorophenoxy)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)Nc1ccccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H14Cl2FN3O2/c1-10-16(17(21)24(2)23-10)18(25)22-13-5-3-4-6-15(13)26-14-8-7-11(19)9-12(14)20/h3-9H,1-2H3,(H,22,25)
InChIKeyDPYGRJRDMKEINY-UHFFFAOYSA-N
MW394.23 g/mol
LogP5.22
Rot. Bonds4

About N-[2-(2,4-dichlorophenoxy)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide

N-[2-(2,4-dichlorophenoxy)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 163527402) has the molecular formula C18H14Cl2FN3O2 and a molecular weight of 394.23 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenoxy)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenoxy)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
PubChem CID163527402
Molecular FormulaC18H14Cl2FN3O2
Molecular Weight394.23 g/mol
Exact Mass393.04
IUPAC NameN-[2-(2,4-dichlorophenoxy)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)Nc1ccccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H14Cl2FN3O2/c1-10-16(17(21)24(2)23-10)18(25)22-13-5-3-4-6-15(13)26-14-8-7-11(19)9-12(14)20/h3-9H,1-2H3,(H,22,25)
InChIKeyDPYGRJRDMKEINY-UHFFFAOYSA-N
XLogP5.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.23
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-1,3-dimethyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazole-4-carboxamide
CID 87475107
N-[2-(4-chlorophenyl)-3-methylphenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 18718226
N-[2-(3-chloro-4-methylpentan-2-yl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 23154700
N-[2-(2-ethynylphenyl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 174989669
N-cyclopropyl-N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 67071534
4-[2-(2,4-dichlorophenoxy)anilino]-4-oxobut-2-enoic acid
CID 2732170
2-[2-(2-chlorophenoxy)anilino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86911711
5-fluoro-1,3-dimethyl-N-[2-[(2S)-4-methylhexan-2-yl]phenyl]pyrazole-4-carboxamide
CID 142208045
5-fluoro-N-[2-[3-methoxy-4-(methoxyiminomethyl)phenyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 74067708
5-(3-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 1486901
N-[4-chloro-2-[[2-(2,4-dichlorophenoxy)anilino]methyl]phenyl]acetamide
CID 42613873
N-(2-benzoyl-4-chlorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281510

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenoxy)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenoxy)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (CID 163527402) is N-[2-(2,4-dichlorophenoxy)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenoxy)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenoxy)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)c(F)c1C(=O)Nc1ccccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenoxy)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is DPYGRJRDMKEINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FN3O2/c1-10-16(17(21)24(2)23-10)18(25)22-13-5-3-4-6-15(13)26-14-8-7-11(19)9-12(14)20/h3-9H,1-2H3,(H,22,25).
What are the key properties of N-[2-(2,4-dichlorophenoxy)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
N-[2-(2,4-dichlorophenoxy)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 394.23 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenoxy)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 163527402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).