N-(1-benzylpiperidin-3-yl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C24H25F3N4O2 — CID 55655458

IUPACN-(1-benzylpiperidin-3-yl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCOc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C24H25F3N4O2/c1-33-21-16-31(20-11-5-9-18(13-20)24(25,26)27)29-22(21)23(32)28-19-10-6-12-30(15-19)14-17-7-3-2-4-8-17/h2-5,7-9,11,13,16,19H,6,10,12,14-15H2,1H3,(H,28,32)
InChIKeyIPHSEJIWIFQZPL-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.29
Rot. Bonds6

About N-(1-benzylpiperidin-3-yl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

N-(1-benzylpiperidin-3-yl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 55655458) has the molecular formula C24H25F3N4O2 and a molecular weight of 458.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID55655458
Molecular FormulaC24H25F3N4O2
Molecular Weight458.48 g/mol
Exact Mass458.19
IUPAC NameN-(1-benzylpiperidin-3-yl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCOc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C24H25F3N4O2/c1-33-21-16-31(20-11-5-9-18(13-20)24(25,26)27)29-22(21)23(32)28-19-10-6-12-30(15-19)14-17-7-3-2-4-8-17/h2-5,7-9,11,13,16,19H,6,10,12,14-15H2,1H3,(H,28,32)
InChIKeyIPHSEJIWIFQZPL-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-benzylpyrrolidin-3-yl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 17419748
[4-(azepan-1-ylmethyl)piperidin-1-yl]-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
CID 55980227
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
CID 56807375
[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 55685195
4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55749944
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 55511006
(4-chlorophenyl)methyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 18272683
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55577176
4-methoxy-N-(4-morpholin-4-ylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 24621815
[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 55512361
4-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229795
N-[(3R)-1-benzylpiperidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 55655458) is N-(1-benzylpiperidin-3-yl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is IPHSEJIWIFQZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2/c1-33-21-16-31(20-11-5-9-18(13-20)24(25,26)27)29-22(21)23(32)28-19-10-6-12-30(15-19)14-17-7-3-2-4-8-17/h2-5,7-9,11,13,16,19H,6,10,12,14-15H2,1H3,(H,28,32).
What are the key properties of N-(1-benzylpiperidin-3-yl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
N-(1-benzylpiperidin-3-yl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-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-3-yl)-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55655458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).