N-(2,4-difluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide

C19H17F2N3O — CID 2811411

IUPACN-(2,4-difluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(F)cc2F)cnn1-c1ccccc1
InChIInChI=1S/C19H17F2N3O/c1-2-6-18-15(12-22-24(18)14-7-4-3-5-8-14)19(25)23-17-10-9-13(20)11-16(17)21/h3-5,7-12H,2,6H2,1H3,(H,23,25)
InChIKeyAIGXLSMVWMBCJA-UHFFFAOYSA-N
MW341.36 g/mol
LogP4.36
Rot. Bonds5

About N-(2,4-difluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide

N-(2,4-difluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide (PubChem CID 2811411) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
PubChem CID2811411
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC NameN-(2,4-difluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(F)cc2F)cnn1-c1ccccc1
InChIInChI=1S/C19H17F2N3O/c1-2-6-18-15(12-22-24(18)14-7-4-3-5-8-14)19(25)23-17-10-9-13(20)11-16(17)21/h3-5,7-12H,2,6H2,1H3,(H,23,25)
InChIKeyAIGXLSMVWMBCJA-UHFFFAOYSA-N
XLogP4.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide (CID 2811411) is N-(2,4-difluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)Nc2ccc(F)cc2F)cnn1-c1ccccc1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The InChIKey is AIGXLSMVWMBCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c1-2-6-18-15(12-22-24(18)14-7-4-3-5-8-14)19(25)23-17-10-9-13(20)11-16(17)21/h3-5,7-12H,2,6H2,1H3,(H,23,25).
What are the key properties of N-(2,4-difluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
N-(2,4-difluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide has a molecular weight of 341.36 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 2811411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).