N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylpropanamide

C27H21FN4O — CID 18674166

IUPACN-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylpropanamide
SMILESCC(C(=O)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccnc2ccccc12)c1ccccc1
InChIInChI=1S/C27H21FN4O/c1-17(18-7-3-2-4-8-18)27(33)30-26-24(22-15-16-29-23-10-6-5-9-21(22)23)25(31-32-26)19-11-13-20(28)14-12-19/h2-17H,1H3,(H2,30,31,32,33)
InChIKeyHSMPUKSWGSTJPX-UHFFFAOYSA-N
MW436.49 g/mol
LogP6.17
Rot. Bonds5

About N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylpropanamide

N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylpropanamide (PubChem CID 18674166) has the molecular formula C27H21FN4O and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylpropanamide
PubChem CID18674166
Molecular FormulaC27H21FN4O
Molecular Weight436.49 g/mol
Exact Mass436.17
IUPAC NameN-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylpropanamide
SMILESCC(C(=O)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccnc2ccccc12)c1ccccc1
InChIInChI=1S/C27H21FN4O/c1-17(18-7-3-2-4-8-18)27(33)30-26-24(22-15-16-29-23-10-6-5-9-21(22)23)25(31-32-26)19-11-13-20(28)14-12-19/h2-17H,1H3,(H2,30,31,32,33)
InChIKeyHSMPUKSWGSTJPX-UHFFFAOYSA-N
XLogP6.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylpropanamide?
The IUPAC name of N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylpropanamide (CID 18674166) is N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylpropanamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylpropanamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylpropanamide is CC(C(=O)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccnc2ccccc12)c1ccccc1.
What is the InChIKey of N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylpropanamide?
The InChIKey is HSMPUKSWGSTJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4O/c1-17(18-7-3-2-4-8-18)27(33)30-26-24(22-15-16-29-23-10-6-5-9-21(22)23)25(31-32-26)19-11-13-20(28)14-12-19/h2-17H,1H3,(H2,30,31,32,33).
What are the key properties of N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylpropanamide?
N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylpropanamide has a molecular weight of 436.49 g/mol, XLogP of 6.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylpropanamide is sourced from PubChem (CID 18674166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).