N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

C22H20ClF3N4O3 — CID 55965525

IUPACN-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
SMILESCc1cc(NC(=O)C2CCCCN2C(=O)c2ccco2)n(-c2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C22H20ClF3N4O3/c1-13-11-19(30(28-13)17-12-14(22(24,25)26)7-8-15(17)23)27-20(31)16-5-2-3-9-29(16)21(32)18-6-4-10-33-18/h4,6-8,10-12,16H,2-3,5,9H2,1H3,(H,27,31)
InChIKeyALPPNGNPVYASCQ-UHFFFAOYSA-N
MW480.87 g/mol
LogP5.08
Rot. Bonds4

About N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (PubChem CID 55965525) has the molecular formula C22H20ClF3N4O3 and a molecular weight of 480.87 g/mol. Its IUPAC name is N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
PubChem CID55965525
Molecular FormulaC22H20ClF3N4O3
Molecular Weight480.87 g/mol
Exact Mass480.12
IUPAC NameN-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
SMILESCc1cc(NC(=O)C2CCCCN2C(=O)c2ccco2)n(-c2cc(C(F)(F)F)ccc2Cl)n1
InChIInChI=1S/C22H20ClF3N4O3/c1-13-11-19(30(28-13)17-12-14(22(24,25)26)7-8-15(17)23)27-20(31)16-5-2-3-9-29(16)21(32)18-6-4-10-33-18/h4,6-8,10-12,16H,2-3,5,9H2,1H3,(H,27,31)
InChIKeyALPPNGNPVYASCQ-UHFFFAOYSA-N
XLogP5.08
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.87
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 652505
N-(2-(3-(3-tert-butyl-5-(3-phenylureido)-1H-pyrazol-1-yl)benzylamino)-2-oxoethyl)furan-2-carboxamide
CID 49862398
N-[1-(2-chlorophenyl)-4-(4-morpholinylcarbonyl)-1H-pyrazol-5-yl]-2-furamide
CID 2958516
5-(4-chlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2884384
3-[1-(6-Chloropyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 56642147
Furan-2-yl(4-{[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}piperazin-1-yl)methanone
CID 135652585
2-[3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-7-yl]-N-(furan-2-ylmethyl)acetamide
CID 20944165
5-(4-(furan-2-carbonyl)piperazine-1-carbonyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-4(7H)-one
CID 135906715
N-[2-(2-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrazol-3-yl]furan-2-carboxamide
CID 991528
3,4-dichloro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide
CID 1056794
(E)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-phenylprop-2-enamide
CID 1056796
N-(1,3-Diphenyl-1H-pyrazol-5-YL)-2-[1-(3-fluorophenyl)-N-[(furan-2-YL)methyl]formamido]acetamide
CID 1060752

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (CID 55965525) is N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is Cc1cc(NC(=O)C2CCCCN2C(=O)c2ccco2)n(-c2cc(C(F)(F)F)ccc2Cl)n1.
What is the InChIKey of N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is ALPPNGNPVYASCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N4O3/c1-13-11-19(30(28-13)17-12-14(22(24,25)26)7-8-15(17)23)27-20(31)16-5-2-3-9-29(16)21(32)18-6-4-10-33-18/h4,6-8,10-12,16H,2-3,5,9H2,1H3,(H,27,31).
What are the key properties of N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 480.87 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 55965525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).