1-(3-chlorophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]-5-ethylpyrazole-4-carboxamide

C20H19ClF2N4O — CID 55864191

IUPAC1-(3-chlorophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cc(F)c(N(C)C)c(F)c2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C20H19ClF2N4O/c1-4-18-15(11-24-27(18)14-7-5-6-12(21)8-14)20(28)25-13-9-16(22)19(26(2)3)17(23)10-13/h5-11H,4H2,1-3H3,(H,25,28)
InChIKeyKJXIMEXTENXPJX-UHFFFAOYSA-N
MW404.85 g/mol
LogP4.68
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]-5-ethylpyrazole-4-carboxamide

1-(3-chlorophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]-5-ethylpyrazole-4-carboxamide (PubChem CID 55864191) has the molecular formula C20H19ClF2N4O and a molecular weight of 404.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]-5-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]-5-ethylpyrazole-4-carboxamide
PubChem CID55864191
Molecular FormulaC20H19ClF2N4O
Molecular Weight404.85 g/mol
Exact Mass404.12
IUPAC Name1-(3-chlorophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]-5-ethylpyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cc(F)c(N(C)C)c(F)c2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C20H19ClF2N4O/c1-4-18-15(11-24-27(18)14-7-5-6-12(21)8-14)20(28)25-13-9-16(22)19(26(2)3)17(23)10-13/h5-11H,4H2,1-3H3,(H,25,28)
InChIKeyKJXIMEXTENXPJX-UHFFFAOYSA-N
XLogP4.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 31884775
1-(3-chlorophenyl)-5-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 31900386
1-(3-chlorophenyl)-5-ethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyrazole-4-carboxamide
CID 32953030
1-(3-chlorophenyl)-5-ethyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 52655877
1-(3-chlorophenyl)-5-ethyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 46400590
1-(3-chlorophenyl)-5-ethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 46589327
1-(3-chlorophenyl)-N-(cyanomethyl)-5-ethylpyrazole-4-carboxamide
CID 52832765
1-(3-chlorophenyl)-N-cyclopropyl-5-ethylpyrazole-4-carboxamide
CID 31900860
N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46671572
2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 78852602
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 55581448
(2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119244369

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]-5-ethylpyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]-5-ethylpyrazole-4-carboxamide (CID 55864191) is 1-(3-chlorophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]-5-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]-5-ethylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]-5-ethylpyrazole-4-carboxamide is CCc1c(C(=O)Nc2cc(F)c(N(C)C)c(F)c2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]-5-ethylpyrazole-4-carboxamide?
The InChIKey is KJXIMEXTENXPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N4O/c1-4-18-15(11-24-27(18)14-7-5-6-12(21)8-14)20(28)25-13-9-16(22)19(26(2)3)17(23)10-13/h5-11H,4H2,1-3H3,(H,25,28).
What are the key properties of 1-(3-chlorophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]-5-ethylpyrazole-4-carboxamide?
1-(3-chlorophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]-5-ethylpyrazole-4-carboxamide has a molecular weight of 404.85 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[4-(dimethylamino)-3,5-difluorophenyl]-5-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 55864191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).