N-(3-fluorophenyl)-5-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide

C21H19FN6O2 — CID 53178994

IUPACN-(3-fluorophenyl)-5-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCCCc1noc(-c2ccnc(-n3ncc(C(=O)Nc4cccc(F)c4)c3C)c2)n1
InChIInChI=1S/C21H19FN6O2/c1-3-5-18-26-21(30-27-18)14-8-9-23-19(10-14)28-13(2)17(12-24-28)20(29)25-16-7-4-6-15(22)11-16/h4,6-12H,3,5H2,1-2H3,(H,25,29)
InChIKeyOPAMHWVKXJLCNU-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.97
Rot. Bonds6

About N-(3-fluorophenyl)-5-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide

N-(3-fluorophenyl)-5-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 53178994) has the molecular formula C21H19FN6O2 and a molecular weight of 406.42 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID53178994
Molecular FormulaC21H19FN6O2
Molecular Weight406.42 g/mol
Exact Mass406.16
IUPAC NameN-(3-fluorophenyl)-5-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCCCc1noc(-c2ccnc(-n3ncc(C(=O)Nc4cccc(F)c4)c3C)c2)n1
InChIInChI=1S/C21H19FN6O2/c1-3-5-18-26-21(30-27-18)14-8-9-23-19(10-14)28-13(2)17(12-24-28)20(29)25-16-7-4-6-15(22)11-16/h4,6-12H,3,5H2,1-2H3,(H,25,29)
InChIKeyOPAMHWVKXJLCNU-UHFFFAOYSA-N
XLogP3.97
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-(3-methylphenyl)-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53178992
3,4-dihydro-1H-isoquinolin-2-yl-[5-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methanone
CID 53179011
N-(cyclopropylmethyl)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxamide
CID 53178980
N-(2-methoxyethyl)-5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53178953
N-(furan-2-ylmethyl)-5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53178948
N-cyclopropyl-5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 53178942
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazole-4-carboxylic acid
CID 56766811
N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944134
[1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-5-methylpyrazol-4-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 53178987
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-5-methylpyrazole-4-carboxamide
CID 53179048
5-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
CID 95104450
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
CID 46266995

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-5-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide (CID 53178994) is N-(3-fluorophenyl)-5-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-5-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-5-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide is CCCc1noc(-c2ccnc(-n3ncc(C(=O)Nc4cccc(F)c4)c3C)c2)n1.
What is the InChIKey of N-(3-fluorophenyl)-5-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is OPAMHWVKXJLCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O2/c1-3-5-18-26-21(30-27-18)14-8-9-23-19(10-14)28-13(2)17(12-24-28)20(29)25-16-7-4-6-15(22)11-16/h4,6-12H,3,5H2,1-2H3,(H,25,29).
What are the key properties of N-(3-fluorophenyl)-5-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide?
N-(3-fluorophenyl)-5-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 406.42 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-methyl-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 53178994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).