N-[[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]methyl]-N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide

C22H19ClF3N3O — CID 44816250

IUPACN-[[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]methyl]-N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)N(Cc1ccc(-c2ccc(F)c(Cl)c2)cc1F)C1CC1
InChIInChI=1S/C22H19ClF3N3O/c1-12-20(21(26)28(2)27-12)22(30)29(16-6-7-16)11-15-4-3-14(10-19(15)25)13-5-8-18(24)17(23)9-13/h3-5,8-10,16H,6-7,11H2,1-2H3
InChIKeyBOUAOSKAEBFPCO-UHFFFAOYSA-N
MW433.86 g/mol
LogP5.27
Rot. Bonds5

About N-[[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]methyl]-N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide

N-[[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]methyl]-N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 44816250) has the molecular formula C22H19ClF3N3O and a molecular weight of 433.86 g/mol. Its IUPAC name is N-[[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]methyl]-N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]methyl]-N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
PubChem CID44816250
Molecular FormulaC22H19ClF3N3O
Molecular Weight433.86 g/mol
Exact Mass433.12
IUPAC NameN-[[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]methyl]-N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)N(Cc1ccc(-c2ccc(F)c(Cl)c2)cc1F)C1CC1
InChIInChI=1S/C22H19ClF3N3O/c1-12-20(21(26)28(2)27-12)22(30)29(16-6-7-16)11-15-4-3-14(10-19(15)25)13-5-8-18(24)17(23)9-13/h3-5,8-10,16H,6-7,11H2,1-2H3
InChIKeyBOUAOSKAEBFPCO-UHFFFAOYSA-N
XLogP5.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.86
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]methyl]-N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]methyl]-N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (CID 44816250) is N-[[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]methyl]-N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]methyl]-N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]methyl]-N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)c(F)c1C(=O)N(Cc1ccc(-c2ccc(F)c(Cl)c2)cc1F)C1CC1.
What is the InChIKey of N-[[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]methyl]-N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is BOUAOSKAEBFPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N3O/c1-12-20(21(26)28(2)27-12)22(30)29(16-6-7-16)11-15-4-3-14(10-19(15)25)13-5-8-18(24)17(23)9-13/h3-5,8-10,16H,6-7,11H2,1-2H3.
What are the key properties of N-[[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]methyl]-N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
N-[[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]methyl]-N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 433.86 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]methyl]-N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 44816250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).