N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide

C21H22F3N5O2 — CID 129032630

IUPACN-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCn1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3NC(=O)c3ccco3)CC2)n1
InChIInChI=1S/C21H22F3N5O2/c1-27-7-6-16(26-27)14-28-8-10-29(11-9-28)18-5-4-15(21(22,23)24)13-17(18)25-20(30)19-3-2-12-31-19/h2-7,12-13H,8-11,14H2,1H3,(H,25,30)
InChIKeyVHVGALAUHCBKPO-UHFFFAOYSA-N
MW433.43 g/mol
LogP3.61
Rot. Bonds5

About N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 129032630) has the molecular formula C21H22F3N5O2 and a molecular weight of 433.43 g/mol. Its IUPAC name is N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID129032630
Molecular FormulaC21H22F3N5O2
Molecular Weight433.43 g/mol
Exact Mass433.17
IUPAC NameN-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCn1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3NC(=O)c3ccco3)CC2)n1
InChIInChI=1S/C21H22F3N5O2/c1-27-7-6-16(26-27)14-28-8-10-29(11-9-28)18-5-4-15(21(22,23)24)13-17(18)25-20(30)19-3-2-12-31-19/h2-7,12-13H,8-11,14H2,1H3,(H,25,30)
InChIKeyVHVGALAUHCBKPO-UHFFFAOYSA-N
XLogP3.61
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1022956
N-(3-{N-[5-(1H-pyrazol-1-ylmethyl)-2-furoyl]ethanehydrazonoyl}phenyl)isonicotinamide
CID 5431606
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-ethylphenyl)-2-furamide
CID 1224519
N-[3-(N-{5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furoyl}ethanehydrazonoyl)phenyl]-2-methylpropanamide
CID 9617645
1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079489
N-[2-(tert-butylamino)-2-oxo-1-pyridazin-4-ylethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide
CID 51003635
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanone
CID 5308216
Furan-2-carboxylic acid (2-pyridin-3-yl-1-p-tolylcarbamoyl-vinyl)-amide
CID 5760622
[4-[1-(3-Fluorophenyl)-5-piperidin-4-ylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 16023269
tert-butyl 4-(1-(2,4-difluorophenyl)-4-{[4-(2-furylcarbonyl)piperazino]carbonyl}-1H-pyrazol-5-yl)tetrahydro-1(2H)-pyridinecarboxylate
CID 16024032
N-{1-[5-methyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]ethyl}-2-furamide
CID 16191279
1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(2-furoyl)piperazine
CID 16191908

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 129032630) is N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide is Cn1ccc(CN2CCN(c3ccc(C(F)(F)F)cc3NC(=O)c3ccco3)CC2)n1.
What is the InChIKey of N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is VHVGALAUHCBKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O2/c1-27-7-6-16(26-27)14-28-8-10-29(11-9-28)18-5-4-15(21(22,23)24)13-17(18)25-20(30)19-3-2-12-31-19/h2-7,12-13H,8-11,14H2,1H3,(H,25,30).
What are the key properties of N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 433.43 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(1-methylpyrazol-3-yl)methyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 129032630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).