N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-4-fluorobenzamide

C23H25FN4O — CID 42874128

IUPACN-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-4-fluorobenzamide
SMILESCCc1[nH]nc(-c2ccc(N3CCCCC3)cc2)c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C23H25FN4O/c1-2-20-22(25-23(29)17-6-10-18(24)11-7-17)21(27-26-20)16-8-12-19(13-9-16)28-14-4-3-5-15-28/h6-13H,2-5,14-15H2,1H3,(H,25,29)(H,26,27)
InChIKeyIZZFXXBABKRFCR-UHFFFAOYSA-N
MW392.48 g/mol
LogP5.02
Rot. Bonds5

About N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-4-fluorobenzamide

N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-4-fluorobenzamide (PubChem CID 42874128) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-4-fluorobenzamide
PubChem CID42874128
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC NameN-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-4-fluorobenzamide
SMILESCCc1[nH]nc(-c2ccc(N3CCCCC3)cc2)c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C23H25FN4O/c1-2-20-22(25-23(29)17-6-10-18(24)11-7-17)21(27-26-20)16-8-12-19(13-9-16)28-14-4-3-5-15-28/h6-13H,2-5,14-15H2,1H3,(H,25,29)(H,26,27)
InChIKeyIZZFXXBABKRFCR-UHFFFAOYSA-N
XLogP5.02
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]benzamide
CID 42686466
methyl N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]carbamate
CID 42686484
4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686304
4-fluoro-N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988761
N-(4-ethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282362
N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]cyclopropanecarboxamide
CID 42686470
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 28636051
1-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 42687416
4-chloro-N-[5-propyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzamide
CID 42686565
N-(3-phenyl-5-propyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)benzamide
CID 42686462
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
4-piperidin-1-yl-N-(2,4,6-trimethylphenyl)benzamide
CID 21368177

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-4-fluorobenzamide (CID 42874128) is N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-4-fluorobenzamide is CCc1[nH]nc(-c2ccc(N3CCCCC3)cc2)c1NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-4-fluorobenzamide?
The InChIKey is IZZFXXBABKRFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-2-20-22(25-23(29)17-6-10-18(24)11-7-17)21(27-26-20)16-8-12-19(13-9-16)28-14-4-3-5-15-28/h6-13H,2-5,14-15H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-4-fluorobenzamide?
N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-4-fluorobenzamide has a molecular weight of 392.48 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 42874128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).