(2R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3-hydroxyphenyl)propanamide

C14H15F2N3O2 — CID 164641903

IUPAC(2R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3-hydroxyphenyl)propanamide
SMILESC[C@@H](C(=O)Nc1cnn(C)c1C(F)F)c1cccc(O)c1
InChIInChI=1S/C14H15F2N3O2/c1-8(9-4-3-5-10(20)6-9)14(21)18-11-7-17-19(2)12(11)13(15)16/h3-8,13,20H,1-2H3,(H,18,21)/t8-/m1/s1
InChIKeyLTJMPTSSSCUFNF-MRVPVSSYSA-N
MW295.29 g/mol
LogP2.81
Rot. Bonds4

About (2R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3-hydroxyphenyl)propanamide

(2R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3-hydroxyphenyl)propanamide (PubChem CID 164641903) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is (2R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3-hydroxyphenyl)propanamide
PubChem CID164641903
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name(2R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3-hydroxyphenyl)propanamide
SMILESC[C@@H](C(=O)Nc1cnn(C)c1C(F)F)c1cccc(O)c1
InChIInChI=1S/C14H15F2N3O2/c1-8(9-4-3-5-10(20)6-9)14(21)18-11-7-17-19(2)12(11)13(15)16/h3-8,13,20H,1-2H3,(H,18,21)/t8-/m1/s1
InChIKeyLTJMPTSSSCUFNF-MRVPVSSYSA-N
XLogP2.81
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3-hydroxyphenyl)propanamide?
The IUPAC name of (2R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3-hydroxyphenyl)propanamide (CID 164641903) is (2R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3-hydroxyphenyl)propanamide.
What is the SMILES notation for (2R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3-hydroxyphenyl)propanamide?
The canonical SMILES for (2R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3-hydroxyphenyl)propanamide is C[C@@H](C(=O)Nc1cnn(C)c1C(F)F)c1cccc(O)c1.
What is the InChIKey of (2R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3-hydroxyphenyl)propanamide?
The InChIKey is LTJMPTSSSCUFNF-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-8(9-4-3-5-10(20)6-9)14(21)18-11-7-17-19(2)12(11)13(15)16/h3-8,13,20H,1-2H3,(H,18,21)/t8-/m1/s1.
What are the key properties of (2R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3-hydroxyphenyl)propanamide?
(2R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3-hydroxyphenyl)propanamide has a molecular weight of 295.29 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-2-(3-hydroxyphenyl)propanamide is sourced from PubChem (CID 164641903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).