N-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C24H25F3N4O2 — CID 10310621

IUPACN-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H25F3N4O2/c1-33-20-9-7-19(8-10-20)31-21(15-22(29-31)24(25,26)27)23(32)28-18-11-13-30(14-12-18)16-17-5-3-2-4-6-17/h2-10,15,18H,11-14,16H2,1H3,(H,28,32)
InChIKeyLQYNYIOBPAZTIR-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.29
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

N-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 10310621) has the molecular formula C24H25F3N4O2 and a molecular weight of 458.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID10310621
Molecular FormulaC24H25F3N4O2
Molecular Weight458.48 g/mol
Exact Mass458.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C24H25F3N4O2/c1-33-20-9-7-19(8-10-20)31-21(15-22(29-31)24(25,26)27)23(32)28-18-11-13-30(14-12-18)16-17-5-3-2-4-6-17/h2-10,15,18H,11-14,16H2,1H3,(H,28,32)
InChIKeyLQYNYIOBPAZTIR-UHFFFAOYSA-N
XLogP4.29
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
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CID 3882518
N-(1-benzylpiperidin-4-yl)-3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 5036469
N-(1-benzylpiperidin-4-yl)-1-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4240293
N-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 42866621
[1-[2-(aminomethyl)-4-methoxyphenyl]-3-(trifluoromethyl)pyrazol-5-yl]-(1-benzylpiperidin-4-yl)carbamic acid
CID 18549788
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 55958899
N-(1-benzylpiperidin-4-yl)-2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079558
N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide
CID 58630077
N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539
N-(1-benzylpiperidin-4-yl)-5-(furan-3-yl)-1-(4-methylphenyl)-1,2,4-triazole-3-carboxamide
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N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 10310621) is N-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is LQYNYIOBPAZTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2/c1-33-20-9-7-19(8-10-20)31-21(15-22(29-31)24(25,26)27)23(32)28-18-11-13-30(14-12-18)16-17-5-3-2-4-6-17/h2-10,15,18H,11-14,16H2,1H3,(H,28,32).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 458.48 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 10310621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).