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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Related Compounds

N-(5-Phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide
CID 6539526
N-(6-(pyridin-4-yl)-1H-indazol-3-yl)butyramide
CID 10085059
4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-(pyridin-4-yl)-1,4-dihydropyrimidine-5-carboxamide
CID 11531982
4-methyl-N-[5-(quinolin-8-ylcarbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl]benzamide
CID 23645985
Trans-N-{(1s)-1-[4-(3-Amino-2h-Indazol-6-Yl)pyridin-2-Yl]-2-Phenylethyl}-4-(Aminomethyl)cyclohexanecarboxamide
CID 86583041
2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{N}-(3-fluorophenyl)ethanamide
CID 162540425
N-(6-(pyridin-3-yl)-1H-indazol-3-yl)butyramide
CID 10016510
2,3-Dihydro-1H-cyclopenta[a]naphthalene-2-carboxylic acid [5-(2-ethyl-pyridin-4-yl)-1H-pyrazol-3-yl]-amide
CID 9907999
2,3-Dihydro-1H-cyclopenta[a]naphthalene-2-carboxylic acid (5-pyridin-4-yl-1H-pyrazol-3-yl)-amide
CID 10970274
N-[1-[4-(3-amino-1H-indazol-6-yl)-2-pyridinyl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
CID 11496443
N-[1-[4-(3-amino-1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
CID 11669959
2-(Methyl-4-pyridine)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11681507

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).