4-(4-fluorophenyl)-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-4-oxobutanamide

C21H21FN4O2 — CID 45167783

IUPAC4-(4-fluorophenyl)-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-4-oxobutanamide
SMILESCc1c(C(C)NC(=O)CCC(=O)c2ccc(F)cc2)cnn1-c1ccccn1
InChIInChI=1S/C21H21FN4O2/c1-14(18-13-24-26(15(18)2)20-5-3-4-12-23-20)25-21(28)11-10-19(27)16-6-8-17(22)9-7-16/h3-9,12-14H,10-11H2,1-2H3,(H,25,28)
InChIKeyKFBOXNOZXATWAA-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.56
Rot. Bonds7

About 4-(4-fluorophenyl)-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-4-oxobutanamide

4-(4-fluorophenyl)-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-4-oxobutanamide (PubChem CID 45167783) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-4-oxobutanamide
PubChem CID45167783
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name4-(4-fluorophenyl)-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-4-oxobutanamide
SMILESCc1c(C(C)NC(=O)CCC(=O)c2ccc(F)cc2)cnn1-c1ccccn1
InChIInChI=1S/C21H21FN4O2/c1-14(18-13-24-26(15(18)2)20-5-3-4-12-23-20)25-21(28)11-10-19(27)16-6-8-17(22)9-7-16/h3-9,12-14H,10-11H2,1-2H3,(H,25,28)
InChIKeyKFBOXNOZXATWAA-UHFFFAOYSA-N
XLogP3.56
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-4-oxobutanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-4-oxobutanamide (CID 45167783) is 4-(4-fluorophenyl)-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-4-oxobutanamide is Cc1c(C(C)NC(=O)CCC(=O)c2ccc(F)cc2)cnn1-c1ccccn1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-4-oxobutanamide?
The InChIKey is KFBOXNOZXATWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-14(18-13-24-26(15(18)2)20-5-3-4-12-23-20)25-21(28)11-10-19(27)16-6-8-17(22)9-7-16/h3-9,12-14H,10-11H2,1-2H3,(H,25,28).
What are the key properties of 4-(4-fluorophenyl)-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-4-oxobutanamide?
4-(4-fluorophenyl)-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-4-oxobutanamide has a molecular weight of 380.42 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-4-oxobutanamide is sourced from PubChem (CID 45167783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).