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

C23H25ClF2N4O3 — CID 146053221

IUPAC1-(2,4-difluorophenyl)-N-(2,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(OC)c(NC(=O)c2cnn(-c3ccc(F)cc3F)c2C2CCNCC2)c1.Cl
InChIInChI=1S/C23H24F2N4O3.ClH/c1-31-16-4-6-21(32-2)19(12-16)28-23(30)17-13-27-29(20-5-3-15(24)11-18(20)25)22(17)14-7-9-26-10-8-14;/h3-6,11-14,26H,7-10H2,1-2H3,(H,28,30);1H
InChIKeyXDEVIHRDPJSUGG-UHFFFAOYSA-N
MW478.93 g/mol
LogP4.31
Rot. Bonds6

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

1-(2,4-difluorophenyl)-N-(2,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 146053221) has the molecular formula C23H25ClF2N4O3 and a molecular weight of 478.93 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-(2,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-(2,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID146053221
Molecular FormulaC23H25ClF2N4O3
Molecular Weight478.93 g/mol
Exact Mass478.16
IUPAC Name1-(2,4-difluorophenyl)-N-(2,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(OC)c(NC(=O)c2cnn(-c3ccc(F)cc3F)c2C2CCNCC2)c1.Cl
InChIInChI=1S/C23H24F2N4O3.ClH/c1-31-16-4-6-21(32-2)19(12-16)28-23(30)17-13-27-29(20-5-3-15(24)11-18(20)25)22(17)14-7-9-26-10-8-14;/h3-6,11-14,26H,7-10H2,1-2H3,(H,28,30);1H
InChIKeyXDEVIHRDPJSUGG-UHFFFAOYSA-N
XLogP4.31
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.93
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-[1-(2,4-difluorophenyl)-4-[(2,5-dimethoxyphenyl)carbamoyl]pyrazol-5-yl]piperidine-1-carboxylate
CID 46281139
1-(2,4-difluorophenyl)-N-[2-(2,4-dimethoxyphenyl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053226
1-(2,4-difluorophenyl)-N-(4-ethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053220
N-(2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053336
N-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053351
N-(4-bromophenyl)-1-(2,4-difluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053227
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053338
N-(2,4-difluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20854855
1-(2,4-difluorophenyl)-N-(3-ethylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924053
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924163
N-(2-methoxyphenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20866625
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053366

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-(2,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(2,4-difluorophenyl)-N-(2,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride (CID 146053221) is 1-(2,4-difluorophenyl)-N-(2,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-(2,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-(2,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is COc1ccc(OC)c(NC(=O)c2cnn(-c3ccc(F)cc3F)c2C2CCNCC2)c1.Cl.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-(2,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is XDEVIHRDPJSUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O3.ClH/c1-31-16-4-6-21(32-2)19(12-16)28-23(30)17-13-27-29(20-5-3-15(24)11-18(20)25)22(17)14-7-9-26-10-8-14;/h3-6,11-14,26H,7-10H2,1-2H3,(H,28,30);1H.
What are the key properties of 1-(2,4-difluorophenyl)-N-(2,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride?
1-(2,4-difluorophenyl)-N-(2,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 478.93 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-(2,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 146053221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).