N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2,5-dimethylbenzamide

C23H25FN4O — CID 75528432

IUPACN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)CC2)c1
InChIInChI=1S/C23H25FN4O/c1-15-3-4-16(2)20(13-15)23(29)25-19-9-11-28(12-10-19)22-14-21(26-27-22)17-5-7-18(24)8-6-17/h3-8,13-14,19H,9-12H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyQFCHFQPKZKRWGL-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.23
Rot. Bonds4

About N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2,5-dimethylbenzamide

N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2,5-dimethylbenzamide (PubChem CID 75528432) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2,5-dimethylbenzamide
PubChem CID75528432
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)CC2)c1
InChIInChI=1S/C23H25FN4O/c1-15-3-4-16(2)20(13-15)23(29)25-19-9-11-28(12-10-19)22-14-21(26-27-22)17-5-7-18(24)8-6-17/h3-8,13-14,19H,9-12H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyQFCHFQPKZKRWGL-UHFFFAOYSA-N
XLogP4.23
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528162
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528231
2-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528472
4-acetamido-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528414
2-chloro-5-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 91888099
3-fluoro-4-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528488
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]pyridine-3-carboxamide
CID 75528402
2-fluoro-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528307
3-(4-fluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 91631956
4-methoxy-2-methyl-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528170
3-fluoro-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741564
3-chloro-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741552

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2,5-dimethylbenzamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2,5-dimethylbenzamide (CID 75528432) is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)CC2)c1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2,5-dimethylbenzamide?
The InChIKey is QFCHFQPKZKRWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-15-3-4-16(2)20(13-15)23(29)25-19-9-11-28(12-10-19)22-14-21(26-27-22)17-5-7-18(24)8-6-17/h3-8,13-14,19H,9-12H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2,5-dimethylbenzamide?
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2,5-dimethylbenzamide has a molecular weight of 392.48 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2,5-dimethylbenzamide is sourced from PubChem (CID 75528432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).