4-fluoro-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide

C14H16FN3O — CID 112702320

IUPAC4-fluoro-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCc1cc(F)ccc1C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C14H16FN3O/c1-9(2)18-13(6-7-16-18)17-14(19)12-5-4-11(15)8-10(12)3/h4-9H,1-3H3,(H,17,19)
InChIKeyQJMMNUMPIUAKDH-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.16
Rot. Bonds3

About 4-fluoro-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide

4-fluoro-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide (PubChem CID 112702320) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
PubChem CID112702320
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name4-fluoro-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCc1cc(F)ccc1C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C14H16FN3O/c1-9(2)18-13(6-7-16-18)17-14(19)12-5-4-11(15)8-10(12)3/h4-9H,1-3H3,(H,17,19)
InChIKeyQJMMNUMPIUAKDH-UHFFFAOYSA-N
XLogP3.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The IUPAC name of 4-fluoro-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide (CID 112702320) is 4-fluoro-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide is Cc1cc(F)ccc1C(=O)Nc1ccnn1C(C)C.
What is the InChIKey of 4-fluoro-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The InChIKey is QJMMNUMPIUAKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9(2)18-13(6-7-16-18)17-14(19)12-5-4-11(15)8-10(12)3/h4-9H,1-3H3,(H,17,19).
What are the key properties of 4-fluoro-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
4-fluoro-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide has a molecular weight of 261.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide is sourced from PubChem (CID 112702320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).