3-fluoro-N-(5-methyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylbenzamide

C21H21FN4O2 — CID 99697779

IUPAC3-fluoro-N-(5-methyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylbenzamide
SMILESCc1c(NC(=O)c2ccc(N3CCOCC3)c(F)c2)cnn1-c1ccccc1
InChIInChI=1S/C21H21FN4O2/c1-15-19(14-23-26(15)17-5-3-2-4-6-17)24-21(27)16-7-8-20(18(22)13-16)25-9-11-28-12-10-25/h2-8,13-14H,9-12H2,1H3,(H,24,27)
InChIKeyAUNXMHVVPGTBKZ-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.41
Rot. Bonds4

About 3-fluoro-N-(5-methyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylbenzamide

3-fluoro-N-(5-methyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylbenzamide (PubChem CID 99697779) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-fluoro-N-(5-methyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(5-methyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylbenzamide
PubChem CID99697779
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name3-fluoro-N-(5-methyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylbenzamide
SMILESCc1c(NC(=O)c2ccc(N3CCOCC3)c(F)c2)cnn1-c1ccccc1
InChIInChI=1S/C21H21FN4O2/c1-15-19(14-23-26(15)17-5-3-2-4-6-17)24-21(27)16-7-8-20(18(22)13-16)25-9-11-28-12-10-25/h2-8,13-14H,9-12H2,1H3,(H,24,27)
InChIKeyAUNXMHVVPGTBKZ-UHFFFAOYSA-N
XLogP3.41
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(5-methyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylbenzamide?
The IUPAC name of 3-fluoro-N-(5-methyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylbenzamide (CID 99697779) is 3-fluoro-N-(5-methyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-(5-methyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylbenzamide?
The canonical SMILES for 3-fluoro-N-(5-methyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylbenzamide is Cc1c(NC(=O)c2ccc(N3CCOCC3)c(F)c2)cnn1-c1ccccc1.
What is the InChIKey of 3-fluoro-N-(5-methyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylbenzamide?
The InChIKey is AUNXMHVVPGTBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-15-19(14-23-26(15)17-5-3-2-4-6-17)24-21(27)16-7-8-20(18(22)13-16)25-9-11-28-12-10-25/h2-8,13-14H,9-12H2,1H3,(H,24,27).
What are the key properties of 3-fluoro-N-(5-methyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylbenzamide?
3-fluoro-N-(5-methyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylbenzamide has a molecular weight of 380.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(5-methyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 99697779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).