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

C20H16FN5O2 — CID 70733167

IUPAC5-(3-fluorophenyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESCc1nc(-c2ccc(CNC(=O)c3cn[nH]c3-c3cccc(F)c3)cc2)no1
InChIInChI=1S/C20H16FN5O2/c1-12-24-19(26-28-12)14-7-5-13(6-8-14)10-22-20(27)17-11-23-25-18(17)15-3-2-4-16(21)9-15/h2-9,11H,10H2,1H3,(H,22,27)(H,23,25)
InChIKeyDMHNNBKAXDRYTC-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.50
Rot. Bonds5

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

5-(3-fluorophenyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 70733167) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID70733167
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name5-(3-fluorophenyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESCc1nc(-c2ccc(CNC(=O)c3cn[nH]c3-c3cccc(F)c3)cc2)no1
InChIInChI=1S/C20H16FN5O2/c1-12-24-19(26-28-12)14-7-5-13(6-8-14)10-22-20(27)17-11-23-25-18(17)15-3-2-4-16(21)9-15/h2-9,11H,10H2,1H3,(H,22,27)(H,23,25)
InChIKeyDMHNNBKAXDRYTC-UHFFFAOYSA-N
XLogP3.50
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-fluorophenyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide (CID 70733167) is 5-(3-fluorophenyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-fluorophenyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-fluorophenyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide is Cc1nc(-c2ccc(CNC(=O)c3cn[nH]c3-c3cccc(F)c3)cc2)no1.
What is the InChIKey of 5-(3-fluorophenyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is DMHNNBKAXDRYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-12-24-19(26-28-12)14-7-5-13(6-8-14)10-22-20(27)17-11-23-25-18(17)15-3-2-4-16(21)9-15/h2-9,11H,10H2,1H3,(H,22,27)(H,23,25).
What are the key properties of 5-(3-fluorophenyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
5-(3-fluorophenyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 70733167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).