N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

C23H25FN4O3 — CID 20924166

IUPACN-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CCNCC2)cc(OC)c1
InChIInChI=1S/C23H25FN4O3/c1-30-19-11-17(12-20(13-19)31-2)27-23(29)21-14-26-28(18-5-3-4-16(24)10-18)22(21)15-6-8-25-9-7-15/h3-5,10-15,25H,6-9H2,1-2H3,(H,27,29)
InChIKeyXEBUEUNDSXLMRY-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.75
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20924166) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20924166
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC NameN-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CCNCC2)cc(OC)c1
InChIInChI=1S/C23H25FN4O3/c1-30-19-11-17(12-20(13-19)31-2)27-23(29)21-14-26-28(18-5-3-4-16(24)10-18)22(21)15-6-8-25-9-7-15/h3-5,10-15,25H,6-9H2,1-2H3,(H,27,29)
InChIKeyXEBUEUNDSXLMRY-UHFFFAOYSA-N
XLogP3.75
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053336
N-(4-bromophenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053375
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924163
1-(3-chloro-4-methylphenyl)-N-(3,5-dimethoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146051847
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053338
N-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053351
N-(3-methoxyphenyl)-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953833
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053366
N,1-bis(4-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953785
N,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867242
[1-(3-fluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 20924189
1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924243

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20924166) is N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is COc1cc(NC(=O)c2cnn(-c3cccc(F)c3)c2C2CCNCC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is XEBUEUNDSXLMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-30-19-11-17(12-20(13-19)31-2)27-23(29)21-14-26-28(18-5-3-4-16(24)10-18)22(21)15-6-8-25-9-7-15/h3-5,10-15,25H,6-9H2,1-2H3,(H,27,29).
What are the key properties of N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20924166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).