N-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide

C19H18FN3O — CID 2808002

IUPACN-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(F)cc2)cnn1-c1ccccc1
InChIInChI=1S/C19H18FN3O/c1-2-6-18-17(13-21-23(18)16-7-4-3-5-8-16)19(24)22-15-11-9-14(20)10-12-15/h3-5,7-13H,2,6H2,1H3,(H,22,24)
InChIKeyIDZCUCNCGJTPLO-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.22
Rot. Bonds5

About N-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide

N-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide (PubChem CID 2808002) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
PubChem CID2808002
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC NameN-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
SMILESCCCc1c(C(=O)Nc2ccc(F)cc2)cnn1-c1ccccc1
InChIInChI=1S/C19H18FN3O/c1-2-6-18-17(13-21-23(18)16-7-4-3-5-8-16)19(24)22-15-11-9-14(20)10-12-15/h3-5,7-13H,2,6H2,1H3,(H,22,24)
InChIKeyIDZCUCNCGJTPLO-UHFFFAOYSA-N
XLogP4.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide (CID 2808002) is N-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide is CCCc1c(C(=O)Nc2ccc(F)cc2)cnn1-c1ccccc1.
What is the InChIKey of N-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
The InChIKey is IDZCUCNCGJTPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-2-6-18-17(13-21-23(18)16-7-4-3-5-8-16)19(24)22-15-11-9-14(20)10-12-15/h3-5,7-13H,2,6H2,1H3,(H,22,24).
What are the key properties of N-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide?
N-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-phenyl-5-propylpyrazole-4-carboxamide is sourced from PubChem (CID 2808002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).