1-(4-chlorophenyl)-5-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide

C20H17ClF3N3O2 — CID 2808022

IUPAC1-(4-chlorophenyl)-5-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClF3N3O2/c1-2-3-18-17(12-25-27(18)15-8-4-13(21)5-9-15)19(28)26-14-6-10-16(11-7-14)29-20(22,23)24/h4-12H,2-3H2,1H3,(H,26,28)
InChIKeyGUURIWZLKZAUMC-UHFFFAOYSA-N
MW423.82 g/mol
LogP5.63
Rot. Bonds6

About 1-(4-chlorophenyl)-5-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide

1-(4-chlorophenyl)-5-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide (PubChem CID 2808022) has the molecular formula C20H17ClF3N3O2 and a molecular weight of 423.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
PubChem CID2808022
Molecular FormulaC20H17ClF3N3O2
Molecular Weight423.82 g/mol
Exact Mass423.10
IUPAC Name1-(4-chlorophenyl)-5-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H17ClF3N3O2/c1-2-3-18-17(12-25-27(18)15-8-4-13(21)5-9-15)19(28)26-14-6-10-16(11-7-14)29-20(22,23)24/h4-12H,2-3H2,1H3,(H,26,28)
InChIKeyGUURIWZLKZAUMC-UHFFFAOYSA-N
XLogP5.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.82
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide (CID 2808022) is 1-(4-chlorophenyl)-5-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide is CCCc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide?
The InChIKey is GUURIWZLKZAUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N3O2/c1-2-3-18-17(12-25-27(18)15-8-4-13(21)5-9-15)19(28)26-14-6-10-16(11-7-14)29-20(22,23)24/h4-12H,2-3H2,1H3,(H,26,28).
What are the key properties of 1-(4-chlorophenyl)-5-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide?
1-(4-chlorophenyl)-5-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide has a molecular weight of 423.82 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-propyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 2808022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).