4-fluoro-3,5-dimethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]benzamide

C19H24FN3O2 — CID 164630194

IUPAC4-fluoro-3,5-dimethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]benzamide
SMILESCc1cc(C(=O)N[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cc(C)c1F
InChIInChI=1S/C19H24FN3O2/c1-10-8-14(9-11(2)17(10)20)19(24)21-15-6-7-25-18(15)16-12(3)22-23(5)13(16)4/h8-9,15,18H,6-7H2,1-5H3,(H,21,24)/t15-,18-/m0/s1
InChIKeyZRDJHTFCRZUCJK-YJBOKZPZSA-N
MW345.42 g/mol
LogP3.05
Rot. Bonds3

About 4-fluoro-3,5-dimethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]benzamide

4-fluoro-3,5-dimethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]benzamide (PubChem CID 164630194) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-fluoro-3,5-dimethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-3,5-dimethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]benzamide
PubChem CID164630194
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name4-fluoro-3,5-dimethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]benzamide
SMILESCc1cc(C(=O)N[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cc(C)c1F
InChIInChI=1S/C19H24FN3O2/c1-10-8-14(9-11(2)17(10)20)19(24)21-15-6-7-25-18(15)16-12(3)22-23(5)13(16)4/h8-9,15,18H,6-7H2,1-5H3,(H,21,24)/t15-,18-/m0/s1
InChIKeyZRDJHTFCRZUCJK-YJBOKZPZSA-N
XLogP3.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,5-dimethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]benzamide?
The IUPAC name of 4-fluoro-3,5-dimethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]benzamide (CID 164630194) is 4-fluoro-3,5-dimethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-3,5-dimethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]benzamide?
The canonical SMILES for 4-fluoro-3,5-dimethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]benzamide is Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)cc(C)c1F.
What is the InChIKey of 4-fluoro-3,5-dimethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]benzamide?
The InChIKey is ZRDJHTFCRZUCJK-YJBOKZPZSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-10-8-14(9-11(2)17(10)20)19(24)21-15-6-7-25-18(15)16-12(3)22-23(5)13(16)4/h8-9,15,18H,6-7H2,1-5H3,(H,21,24)/t15-,18-/m0/s1.
What are the key properties of 4-fluoro-3,5-dimethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]benzamide?
4-fluoro-3,5-dimethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]benzamide has a molecular weight of 345.42 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,5-dimethyl-N-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]benzamide is sourced from PubChem (CID 164630194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).