1-(2,4-difluorophenyl)-N-(3-ethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

C23H24F2N4O — CID 20924053

IUPAC1-(2,4-difluorophenyl)-N-(3-ethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCCc1cccc(NC(=O)c2cnn(-c3ccc(F)cc3F)c2C2CCNCC2)c1
InChIInChI=1S/C23H24F2N4O/c1-2-15-4-3-5-18(12-15)28-23(30)19-14-27-29(21-7-6-17(24)13-20(21)25)22(19)16-8-10-26-11-9-16/h3-7,12-14,16,26H,2,8-11H2,1H3,(H,28,30)
InChIKeyNYSYYSANPIGTNW-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.43
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N-(3-ethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

1-(2,4-difluorophenyl)-N-(3-ethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20924053) has the molecular formula C23H24F2N4O and a molecular weight of 410.47 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-(3-ethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-(3-ethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20924053
Molecular FormulaC23H24F2N4O
Molecular Weight410.47 g/mol
Exact Mass410.19
IUPAC Name1-(2,4-difluorophenyl)-N-(3-ethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCCc1cccc(NC(=O)c2cnn(-c3ccc(F)cc3F)c2C2CCNCC2)c1
InChIInChI=1S/C23H24F2N4O/c1-2-15-4-3-5-18(12-15)28-23(30)19-14-27-29(21-7-6-17(24)13-20(21)25)22(19)16-8-10-26-11-9-16/h3-7,12-14,16,26H,2,8-11H2,1H3,(H,28,30)
InChIKeyNYSYYSANPIGTNW-UHFFFAOYSA-N
XLogP4.43
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)-N-(4-ethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053220
N-(4-bromophenyl)-1-(2,4-difluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053227
1-(3-chloro-2-methylphenyl)-N-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953814
5-ethyl-N-(3-ethylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31887301
ethyl 4-[[1-(2,4-difluorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 155901037
1-(2,4-difluorophenyl)-N-(2,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053221
N-(4-ethylphenyl)-1-(3-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053168
N-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20854855
1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924142
N,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867242
N-(3-ethylphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55581176
N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924166

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-(3-ethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2,4-difluorophenyl)-N-(3-ethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20924053) is 1-(2,4-difluorophenyl)-N-(3-ethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-(3-ethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-(3-ethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is CCc1cccc(NC(=O)c2cnn(-c3ccc(F)cc3F)c2C2CCNCC2)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-(3-ethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is NYSYYSANPIGTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O/c1-2-15-4-3-5-18(12-15)28-23(30)19-14-27-29(21-7-6-17(24)13-20(21)25)22(19)16-8-10-26-11-9-16/h3-7,12-14,16,26H,2,8-11H2,1H3,(H,28,30).
What are the key properties of 1-(2,4-difluorophenyl)-N-(3-ethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
1-(2,4-difluorophenyl)-N-(3-ethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-(3-ethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20924053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).