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

C16H11BrF3N3O2 — CID 1022956

IUPAC5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C16H11BrF3N3O2/c17-11-7-21-23(8-11)9-13-4-5-14(25-13)15(24)22-12-3-1-2-10(6-12)16(18,19)20/h1-8H,9H2,(H,22,24)
InChIKeyNNYRRVMAQBTSTA-UHFFFAOYSA-N
MW414.18 g/mol
LogP4.56
Rot. Bonds4

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

5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 1022956) has the molecular formula C16H11BrF3N3O2 and a molecular weight of 414.18 g/mol. Its IUPAC name is 5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID1022956
Molecular FormulaC16H11BrF3N3O2
Molecular Weight414.18 g/mol
Exact Mass413.00
IUPAC Name5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cn2cc(Br)cn2)o1
InChIInChI=1S/C16H11BrF3N3O2/c17-11-7-21-23(8-11)9-13-4-5-14(25-13)15(24)22-12-3-1-2-10(6-12)16(18,19)20/h1-8H,9H2,(H,22,24)
InChIKeyNNYRRVMAQBTSTA-UHFFFAOYSA-N
XLogP4.56
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.18
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-furamide
CID 1017805
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-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 20876955
N-[1-[(4-fluorophenyl)methyl]-3-pyrazolyl]-5-methyl-2-furancarboxamide
CID 841204
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-ethylphenyl)-2-furamide
CID 1224519
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[2-chloro-4-(trifluoromethyl)phenyl]-2-furamide
CID 2193059
methyl 2-({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)benzoate
CID 3153926
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N'-(2,3,4,5,6-pentafluorobenzylidene)-2-furohydrazide
CID 6873479
5-[(4-bromo-1H-pyrazol-1-yl)methyl]-N'-[4-(dimethylamino)benzylidene]-2-furohydrazide
CID 6874059
N-[3-(N-{5-[(4-bromo-1H-pyrazol-1-yl)methyl]-2-furoyl}ethanehydrazonoyl)phenyl]-2-methylpropanamide
CID 9617645
N-(3-{N-[5-({4-nitro-1H-pyrazol-1-yl}methyl)-2-furoyl]ethanehydrazonoyl}phenyl)-2-methylpropanamide
CID 9617740
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3,5-dimethyl-2-furamide
CID 24791124

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 1022956) is 5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(Cn2cc(Br)cn2)o1.
What is the InChIKey of 5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is NNYRRVMAQBTSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF3N3O2/c17-11-7-21-23(8-11)9-13-4-5-14(25-13)15(24)22-12-3-1-2-10(6-12)16(18,19)20/h1-8H,9H2,(H,22,24).
What are the key properties of 5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 414.18 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromopyrazol-1-yl)methyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1022956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).