1-(2,4-difluorophenyl)-N-(4-ethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride

C23H25ClF2N4O2 — CID 146053220

IUPAC1-(2,4-difluorophenyl)-N-(4-ethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESCCOc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3F)c2C2CCNCC2)cc1.Cl
InChIInChI=1S/C23H24F2N4O2.ClH/c1-2-31-18-6-4-17(5-7-18)28-23(30)19-14-27-29(21-8-3-16(24)13-20(21)25)22(19)15-9-11-26-12-10-15;/h3-8,13-15,26H,2,9-12H2,1H3,(H,28,30);1H
InChIKeyHWAJQCVXBBIYQL-UHFFFAOYSA-N
MW462.93 g/mol
LogP4.69
Rot. Bonds6

About 1-(2,4-difluorophenyl)-N-(4-ethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride

1-(2,4-difluorophenyl)-N-(4-ethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 146053220) has the molecular formula C23H25ClF2N4O2 and a molecular weight of 462.93 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-(4-ethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-(4-ethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID146053220
Molecular FormulaC23H25ClF2N4O2
Molecular Weight462.93 g/mol
Exact Mass462.16
IUPAC Name1-(2,4-difluorophenyl)-N-(4-ethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESCCOc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3F)c2C2CCNCC2)cc1.Cl
InChIInChI=1S/C23H24F2N4O2.ClH/c1-2-31-18-6-4-17(5-7-18)28-23(30)19-14-27-29(21-8-3-16(24)13-20(21)25)22(19)15-9-11-26-12-10-15;/h3-8,13-15,26H,2,9-12H2,1H3,(H,28,30);1H
InChIKeyHWAJQCVXBBIYQL-UHFFFAOYSA-N
XLogP4.69
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.93
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-1-(2,4-difluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053227
1-(2,4-difluorophenyl)-N-(3-ethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924053
1-(2,4-difluorophenyl)-N-(2,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053221
ethyl 4-[[1-(2,4-difluorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 155901037
1-(2,4-difluorophenyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053226
N,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867242
1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924142
N,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953785
N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924166
N-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20854855
N-(4-bromophenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053375
N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31855056

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-(4-ethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(2,4-difluorophenyl)-N-(4-ethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (CID 146053220) is 1-(2,4-difluorophenyl)-N-(4-ethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-(4-ethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-(4-ethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is CCOc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3F)c2C2CCNCC2)cc1.Cl.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-(4-ethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is HWAJQCVXBBIYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2.ClH/c1-2-31-18-6-4-17(5-7-18)28-23(30)19-14-27-29(21-8-3-16(24)13-20(21)25)22(19)15-9-11-26-12-10-15;/h3-8,13-15,26H,2,9-12H2,1H3,(H,28,30);1H.
What are the key properties of 1-(2,4-difluorophenyl)-N-(4-ethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
1-(2,4-difluorophenyl)-N-(4-ethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 462.93 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-(4-ethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 146053220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).