N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C22H21F3N4O3 — CID 46553202

IUPACN-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H21F3N4O3/c1-14-18(13-26-29(14)17-5-2-4-15(12-17)22(23,24)25)20(30)27-16-7-9-28(10-8-16)21(31)19-6-3-11-32-19/h2-6,11-13,16H,7-10H2,1H3,(H,27,30)
InChIKeyQMYRYJHQHDYEKV-UHFFFAOYSA-N
MW446.43 g/mol
LogP3.83
Rot. Bonds4

About N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 46553202) has the molecular formula C22H21F3N4O3 and a molecular weight of 446.43 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID46553202
Molecular FormulaC22H21F3N4O3
Molecular Weight446.43 g/mol
Exact Mass446.16
IUPAC NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H21F3N4O3/c1-14-18(13-26-29(14)17-5-2-4-15(12-17)22(23,24)25)20(30)27-16-7-9-28(10-8-16)21(31)19-6-3-11-32-19/h2-6,11-13,16H,7-10H2,1H3,(H,27,30)
InChIKeyQMYRYJHQHDYEKV-UHFFFAOYSA-N
XLogP3.83
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119458219
azocan-1-yl-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
CID 30766832
N,5-dicyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51077946
5-cyclopropyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55845431
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46565770
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
CID 43051808
(2-hydroxyphenyl)-[4-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 55645976
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119384459
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134000256
5-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 35257790
5-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55716702

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 46553202) is N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)NC2CCN(C(=O)c3ccco3)CC2)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is QMYRYJHQHDYEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O3/c1-14-18(13-26-29(14)17-5-2-4-15(12-17)22(23,24)25)20(30)27-16-7-9-28(10-8-16)21(31)19-6-3-11-32-19/h2-6,11-13,16H,7-10H2,1H3,(H,27,30).
What are the key properties of N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 446.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 46553202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).