N-[4-(4-fluorobenzoyl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide

C21H20FN3O2 — CID 985877

IUPACN-[4-(4-fluorobenzoyl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(C(=O)c3ccc(F)cc3)cc2)n(C)n1
InChIInChI=1S/C21H20FN3O2/c1-3-4-18-13-19(25(2)24-18)21(27)23-17-11-7-15(8-12-17)20(26)14-5-9-16(22)10-6-14/h5-13H,3-4H2,1-2H3,(H,23,27)
InChIKeyXRSIVPNLAKZRJS-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.99
Rot. Bonds6

About N-[4-(4-fluorobenzoyl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide

N-[4-(4-fluorobenzoyl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide (PubChem CID 985877) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[4-(4-fluorobenzoyl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorobenzoyl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide
PubChem CID985877
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-[4-(4-fluorobenzoyl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(C(=O)c3ccc(F)cc3)cc2)n(C)n1
InChIInChI=1S/C21H20FN3O2/c1-3-4-18-13-19(25(2)24-18)21(27)23-17-11-7-15(8-12-17)20(26)14-5-9-16(22)10-6-14/h5-13H,3-4H2,1-2H3,(H,23,27)
InChIKeyXRSIVPNLAKZRJS-UHFFFAOYSA-N
XLogP3.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorobenzoyl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide?
The IUPAC name of N-[4-(4-fluorobenzoyl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide (CID 985877) is N-[4-(4-fluorobenzoyl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(4-fluorobenzoyl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide?
The canonical SMILES for N-[4-(4-fluorobenzoyl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide is CCCc1cc(C(=O)Nc2ccc(C(=O)c3ccc(F)cc3)cc2)n(C)n1.
What is the InChIKey of N-[4-(4-fluorobenzoyl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide?
The InChIKey is XRSIVPNLAKZRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-3-4-18-13-19(25(2)24-18)21(27)23-17-11-7-15(8-12-17)20(26)14-5-9-16(22)10-6-14/h5-13H,3-4H2,1-2H3,(H,23,27).
What are the key properties of N-[4-(4-fluorobenzoyl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide?
N-[4-(4-fluorobenzoyl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorobenzoyl)phenyl]-1-methyl-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 985877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).