1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

C24H26F3N5O4 — CID 46207203

IUPAC1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cc(C(F)(F)F)n(C)n3)c2)o1)C(C)C
InChIInChI=1S/C24H26F3N5O4/c1-13(2)20(23(35)28-3)30-22(34)18-9-8-17(36-18)15-7-5-6-14(10-15)12-29-21(33)16-11-19(24(25,26)27)32(4)31-16/h5-11,13,20H,12H2,1-4H3,(H,28,35)(H,29,33)(H,30,34)/t20-/m0/s1
InChIKeyVYAFMSRHBLIDQI-FQEVSTJZSA-N
MW505.50 g/mol
LogP3.13
Rot. Bonds8

About 1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 46207203) has the molecular formula C24H26F3N5O4 and a molecular weight of 505.50 g/mol. Its IUPAC name is 1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID46207203
Molecular FormulaC24H26F3N5O4
Molecular Weight505.50 g/mol
Exact Mass505.19
IUPAC Name1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cc(C(F)(F)F)n(C)n3)c2)o1)C(C)C
InChIInChI=1S/C24H26F3N5O4/c1-13(2)20(23(35)28-3)30-22(34)18-9-8-17(36-18)15-7-5-6-14(10-15)12-29-21(33)16-11-19(24(25,26)27)32(4)31-16/h5-11,13,20H,12H2,1-4H3,(H,28,35)(H,29,33)(H,30,34)/t20-/m0/s1
InChIKeyVYAFMSRHBLIDQI-FQEVSTJZSA-N
XLogP3.13
TPSA118.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.50
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide with MolForge

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Related Compounds

Furan-2-carboxamide deriv., 7
CID 44236894
Furan-2-carboxamide deriv., 8
CID 44236895
Furan-2-carboxamide deriv., 9
CID 44236896
5-[(3,5-Dimethyl-1H-pyrazol-1-YL)methyl]-N-[(4-methylphenyl)methyl]furan-2-carboxamide
CID 20876955
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-ethylphenyl)-2-furamide
CID 1224519
(S)-N-(3-(5-(1-cyclopropyl-2-(methylamino)-2-oxoethylcarbamoyl)furan-2-yl)benzyl)-6-(trifluoromethyl)picolinamide
CID 46207262
(S)-N-(3-(5-(2-(methylamino)-2-oxo-1-(tetrahydro-2H-pyran-4-yl)ethylcarbamoyl)furan-2-yl)benzyl)-6-(trifluoromethyl)picolinamide
CID 46207292
(1-{2-Fluoro-4-[(5-fluoro-3-methylbenzofuran-2-carbonyl)amino]benzyl}-3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 59054523
2-[1-[[4-[(3-Ethyl-5-fluoro-1-benzofuran-2-carbonyl)amino]-2-fluorophenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 86766376
2-[1-[[2-Fluoro-4-[(5-fluoro-3-propyl-1-benzofuran-2-carbonyl)amino]phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 86766380
N-[2-(cyclohexen-1-yl)ethyl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 660953
2-[5-(2-furyl)-3-methyl-1H-pyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 5308195

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 46207203) is 1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide is CNC(=O)[C@@H](NC(=O)c1ccc(-c2cccc(CNC(=O)c3cc(C(F)(F)F)n(C)n3)c2)o1)C(C)C.
What is the InChIKey of 1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is VYAFMSRHBLIDQI-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26F3N5O4/c1-13(2)20(23(35)28-3)30-22(34)18-9-8-17(36-18)15-7-5-6-14(10-15)12-29-21(33)16-11-19(24(25,26)27)32(4)31-16/h5-11,13,20H,12H2,1-4H3,(H,28,35)(H,29,33)(H,30,34)/t20-/m0/s1.
What are the key properties of 1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide?
1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 505.50 g/mol, XLogP of 3.13, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[3-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46207203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).