N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide

C24H27FN4O — CID 24791290

IUPACN-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
SMILESCCc1ccc(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C24H27FN4O/c1-2-18-6-8-19(9-7-18)17-28-14-11-22(12-15-28)29-23(10-13-26-29)27-24(30)20-4-3-5-21(25)16-20/h3-10,13,16,22H,2,11-12,14-15,17H2,1H3,(H,27,30)
InChIKeyUXNHOBKTXFTDRJ-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.67
Rot. Bonds6

About N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide

N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide (PubChem CID 24791290) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
PubChem CID24791290
Molecular FormulaC24H27FN4O
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC NameN-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
SMILESCCc1ccc(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C24H27FN4O/c1-2-18-6-8-19(9-7-18)17-28-14-11-22(12-15-28)29-23(10-13-26-29)27-24(30)20-4-3-5-21(25)16-20/h3-10,13,16,22H,2,11-12,14-15,17H2,1H3,(H,27,30)
InChIKeyUXNHOBKTXFTDRJ-UHFFFAOYSA-N
XLogP4.67
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide
CID 42302028
3-fluoro-N-[2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 25291943
3-fluoro-N-[2-[1-(3-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24791274
3-fluoro-N-[2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42291969
3-fluoro-N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 25366302
N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42211407
3-fluoro-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42528747
3-fluoro-N-[2-[1-[[5-(2-methylpropyl)pyrazolidin-3-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 74812362
N-[2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
CID 42194902
1-(2-chlorophenyl)-3-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]urea
CID 26321155
N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
CID 25375251
3-fluoro-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42150716

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide?
The IUPAC name of N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide (CID 24791290) is N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide is CCc1ccc(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide?
The InChIKey is UXNHOBKTXFTDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O/c1-2-18-6-8-19(9-7-18)17-28-14-11-22(12-15-28)29-23(10-13-26-29)27-24(30)20-4-3-5-21(25)16-20/h3-10,13,16,22H,2,11-12,14-15,17H2,1H3,(H,27,30).
What are the key properties of N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide?
N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide has a molecular weight of 406.51 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide is sourced from PubChem (CID 24791290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).