N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide

C23H23FN4O2 — CID 26419045

IUPACN-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C23H23FN4O2/c1-16(29)27-13-11-19(12-14-27)25-23(30)21-15-28(20-5-3-2-4-6-20)26-22(21)17-7-9-18(24)10-8-17/h2-10,15,19H,11-14H2,1H3,(H,25,30)
InChIKeyKZXPEFMUZMJBFK-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.42
Rot. Bonds4

About N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide

N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 26419045) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID26419045
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC NameN-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)N1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1
InChIInChI=1S/C23H23FN4O2/c1-16(29)27-13-11-19(12-14-27)25-23(30)21-15-28(20-5-3-2-4-6-20)26-22(21)17-7-9-18(24)10-8-17/h2-10,15,19H,11-14H2,1H3,(H,25,30)
InChIKeyKZXPEFMUZMJBFK-UHFFFAOYSA-N
XLogP3.42
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[1-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperidin-4-yl]benzamide
CID 46591840
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 46540299
1-(4-methylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-3-phenylpyrazole-4-carboxamide
CID 32541952
N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210094
3-(4-ethylphenyl)-1-phenyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 60513846
4-[(1,3-diphenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229120
3-(4-fluorophenyl)-N',N'-dimethyl-1-phenylpyrazole-4-carbohydrazide
CID 9163796
cyclopropyl-[4-[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 17430545
3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126772957
4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 2360683
N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1356321
N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119477405

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide (CID 26419045) is N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide is CC(=O)N1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is KZXPEFMUZMJBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-16(29)27-13-11-19(12-14-27)25-23(30)21-15-28(20-5-3-2-4-6-20)26-22(21)17-7-9-18(24)10-8-17/h2-10,15,19H,11-14H2,1H3,(H,25,30).
What are the key properties of N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide?
N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 26419045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).