N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-(2-methylpyrazol-3-yl)furan-3-carboxamide

C19H19F3N4O2 — CID 24997112

IUPACN-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-(2-methylpyrazol-3-yl)furan-3-carboxamide
SMILESCn1nccc1-c1cc(C(=O)N[C@H](CN)Cc2ccccc2C(F)(F)F)co1
InChIInChI=1S/C19H19F3N4O2/c1-26-16(6-7-24-26)17-9-13(11-28-17)18(27)25-14(10-23)8-12-4-2-3-5-15(12)19(20,21)22/h2-7,9,11,14H,8,10,23H2,1H3,(H,25,27)/t14-/m0/s1
InChIKeyIEHUSUMWBYNDPY-AWEZNQCLSA-N
MW392.38 g/mol
LogP3.00
Rot. Bonds6

About N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-(2-methylpyrazol-3-yl)furan-3-carboxamide

N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-(2-methylpyrazol-3-yl)furan-3-carboxamide (PubChem CID 24997112) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-(2-methylpyrazol-3-yl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-(2-methylpyrazol-3-yl)furan-3-carboxamide
PubChem CID24997112
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC NameN-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-(2-methylpyrazol-3-yl)furan-3-carboxamide
SMILESCn1nccc1-c1cc(C(=O)N[C@H](CN)Cc2ccccc2C(F)(F)F)co1
InChIInChI=1S/C19H19F3N4O2/c1-26-16(6-7-24-26)17-9-13(11-28-17)18(27)25-14(10-23)8-12-4-2-3-5-15(12)19(20,21)22/h2-7,9,11,14H,8,10,23H2,1H3,(H,25,27)/t14-/m0/s1
InChIKeyIEHUSUMWBYNDPY-AWEZNQCLSA-N
XLogP3.00
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-(2-methylpyrazol-3-yl)furan-3-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-(2-methylpyrazol-3-yl)furan-3-carboxamide (CID 24997112) is N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-(2-methylpyrazol-3-yl)furan-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-(2-methylpyrazol-3-yl)furan-3-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-(2-methylpyrazol-3-yl)furan-3-carboxamide is Cn1nccc1-c1cc(C(=O)N[C@H](CN)Cc2ccccc2C(F)(F)F)co1.
What is the InChIKey of N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-(2-methylpyrazol-3-yl)furan-3-carboxamide?
The InChIKey is IEHUSUMWBYNDPY-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-26-16(6-7-24-26)17-9-13(11-28-17)18(27)25-14(10-23)8-12-4-2-3-5-15(12)19(20,21)22/h2-7,9,11,14H,8,10,23H2,1H3,(H,25,27)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-(2-methylpyrazol-3-yl)furan-3-carboxamide?
N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-(2-methylpyrazol-3-yl)furan-3-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-5-(2-methylpyrazol-3-yl)furan-3-carboxamide is sourced from PubChem (CID 24997112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).