N-methyl-1-propan-2-yl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide

C23H31F3N4O — CID 45175175

IUPACN-methyl-1-propan-2-yl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)N(C)CC2CCCN(CCc3cccc(C(F)(F)F)c3)C2)cn1
InChIInChI=1S/C23H31F3N4O/c1-17(2)30-16-20(13-27-30)22(31)28(3)14-19-7-5-10-29(15-19)11-9-18-6-4-8-21(12-18)23(24,25)26/h4,6,8,12-13,16-17,19H,5,7,9-11,14-15H2,1-3H3
InChIKeyPCUNILOKSLAXHX-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.51
Rot. Bonds7

About N-methyl-1-propan-2-yl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide

N-methyl-1-propan-2-yl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide (PubChem CID 45175175) has the molecular formula C23H31F3N4O and a molecular weight of 436.52 g/mol. Its IUPAC name is N-methyl-1-propan-2-yl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-propan-2-yl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide
PubChem CID45175175
Molecular FormulaC23H31F3N4O
Molecular Weight436.52 g/mol
Exact Mass436.24
IUPAC NameN-methyl-1-propan-2-yl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)N(C)CC2CCCN(CCc3cccc(C(F)(F)F)c3)C2)cn1
InChIInChI=1S/C23H31F3N4O/c1-17(2)30-16-20(13-27-30)22(31)28(3)14-19-7-5-10-29(15-19)11-9-18-6-4-8-21(12-18)23(24,25)26/h4,6,8,12-13,16-17,19H,5,7,9-11,14-15H2,1-3H3
InChIKeyPCUNILOKSLAXHX-UHFFFAOYSA-N
XLogP4.51
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorobenzyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1502164
1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 1225887
1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine
CID 16189902
1-[3-[Methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 24790635
1-{1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinyl}-4-(2-methylphenyl)piperazine
CID 24793812
N-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 24816994
N-(4-isopropylphenyl)-1-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinamine
CID 24817215
1-[(2-fluorophenyl)methyl]-6-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24819201
[1-[(1-Ethyl-4-pyrazolyl)methyl]-3-piperidinyl]-[3-(trifluoromethyl)phenyl]methanone
CID 44629407
N-(2-(4-((3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl)piperazin-1-yl)-2-cyclohexylethyl)-N,1-diisopropyl-1H-pyrazole-4-carboxamide
CID 49862377
[1-[(1-Propylpyrazol-4-yl)methyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 57399514
N-(2-fluorobenzyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1225332

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-yl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-methyl-1-propan-2-yl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide (CID 45175175) is N-methyl-1-propan-2-yl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-1-propan-2-yl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-1-propan-2-yl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide is CC(C)n1cc(C(=O)N(C)CC2CCCN(CCc3cccc(C(F)(F)F)c3)C2)cn1.
What is the InChIKey of N-methyl-1-propan-2-yl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is PCUNILOKSLAXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N4O/c1-17(2)30-16-20(13-27-30)22(31)28(3)14-19-7-5-10-29(15-19)11-9-18-6-4-8-21(12-18)23(24,25)26/h4,6,8,12-13,16-17,19H,5,7,9-11,14-15H2,1-3H3.
What are the key properties of N-methyl-1-propan-2-yl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide?
N-methyl-1-propan-2-yl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-yl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 45175175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).