N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide

C21H23FN4O2 — CID 87020189

IUPACN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)CCn1ccccc1=O
InChIInChI=1S/C21H23FN4O2/c1-25(20(27)11-14-26-13-3-2-6-21(26)28)12-4-5-18-15-19(24-23-18)16-7-9-17(22)10-8-16/h2-3,6-10,13,15H,4-5,11-12,14H2,1H3,(H,23,24)
InChIKeyQSOYSHKFPABPNO-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.86
Rot. Bonds8

About N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide

N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 87020189) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID87020189
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)CCn1ccccc1=O
InChIInChI=1S/C21H23FN4O2/c1-25(20(27)11-14-26-13-3-2-6-21(26)28)12-4-5-18-15-19(24-23-18)16-7-9-17(22)10-8-16/h2-3,6-10,13,15H,4-5,11-12,14H2,1H3,(H,23,24)
InChIKeyQSOYSHKFPABPNO-UHFFFAOYSA-N
XLogP2.86
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide (CID 87020189) is N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide is CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)CCn1ccccc1=O.
What is the InChIKey of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is QSOYSHKFPABPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-25(20(27)11-14-26-13-3-2-6-21(26)28)12-4-5-18-15-19(24-23-18)16-7-9-17(22)10-8-16/h2-3,6-10,13,15H,4-5,11-12,14H2,1H3,(H,23,24).
What are the key properties of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide?
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 382.44 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 87020189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).