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

C19H14FN5O2 — CID 16677752

IUPAC1-(4-fluorophenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)no1)c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H14FN5O2/c20-15-6-8-16(9-7-15)25-12-14(10-22-25)19(26)21-11-17-23-18(24-27-17)13-4-2-1-3-5-13/h1-10,12H,11H2,(H,21,26)
InChIKeyDTNHESRTVAIZKN-UHFFFAOYSA-N
MW363.35 g/mol
LogP2.99
Rot. Bonds5

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

1-(4-fluorophenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide (PubChem CID 16677752) has the molecular formula C19H14FN5O2 and a molecular weight of 363.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide
PubChem CID16677752
Molecular FormulaC19H14FN5O2
Molecular Weight363.35 g/mol
Exact Mass363.11
IUPAC Name1-(4-fluorophenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide
SMILESO=C(NCc1nc(-c2ccccc2)no1)c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C19H14FN5O2/c20-15-6-8-16(9-7-15)25-12-14(10-22-25)19(26)21-11-17-23-18(24-27-17)13-4-2-1-3-5-13/h1-10,12H,11H2,(H,21,26)
InChIKeyDTNHESRTVAIZKN-UHFFFAOYSA-N
XLogP2.99
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-(trifluoromethyl)-N-[(1S)-1-{3-[2-(trifluoromethyl)pyridin-4-yl]-1,2,4-oxadiazol-5-yl}ethyl]-1H-pyrazole-5-carboxamide
CID 155272065
N-[(1S)-1-[3-[2-(difluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155271993
1-methyl-N-[(1S)-1-[3-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 162668113
N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 162642965
1-methyl-N-[(1S)-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 155272259
US11066396, Example 389
CID 132258433
US11066396, Example 391
CID 132259581
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-methylmethanamine
CID 16189859
1-[3-(3-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[4-(1H-pyrazol-1-yl)benzyl]methanamine
CID 25380749
2-(4-fluorophenyl)-5-((3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)methyl)pyrazolo[1,5-a]pyrazin-4(5H)-one
CID 27372926
6-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-phenyl-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
CID 27373355
N-methyl-1-[1-(2-methylphenyl)-1H-pyrazol-4-yl]-N-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)methanamine
CID 28954312

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide (CID 16677752) is 1-(4-fluorophenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide is O=C(NCc1nc(-c2ccccc2)no1)c1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is DTNHESRTVAIZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O2/c20-15-6-8-16(9-7-15)25-12-14(10-22-25)19(26)21-11-17-23-18(24-27-17)13-4-2-1-3-5-13/h1-10,12H,11H2,(H,21,26).
What are the key properties of 1-(4-fluorophenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 363.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 16677752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).