2-(4-chloro-1-methyl-3-propylpyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

C16H14ClF3N4O — CID 985905

IUPAC2-(4-chloro-1-methyl-3-propylpyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESCCCc1nn(C)c(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)c1Cl
InChIInChI=1S/C16H14ClF3N4O/c1-3-4-11-12(17)13(24(2)23-11)15-22-21-14(25-15)9-5-7-10(8-6-9)16(18,19)20/h5-8H,3-4H2,1-2H3
InChIKeyJPAVEONNEWBMQN-UHFFFAOYSA-N
MW370.76 g/mol
LogP4.76
Rot. Bonds4

About 2-(4-chloro-1-methyl-3-propylpyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

2-(4-chloro-1-methyl-3-propylpyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 985905) has the molecular formula C16H14ClF3N4O and a molecular weight of 370.76 g/mol. Its IUPAC name is 2-(4-chloro-1-methyl-3-propylpyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chloro-1-methyl-3-propylpyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
PubChem CID985905
Molecular FormulaC16H14ClF3N4O
Molecular Weight370.76 g/mol
Exact Mass370.08
IUPAC Name2-(4-chloro-1-methyl-3-propylpyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESCCCc1nn(C)c(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)c1Cl
InChIInChI=1S/C16H14ClF3N4O/c1-3-4-11-12(17)13(24(2)23-11)15-22-21-14(25-15)9-5-7-10(8-6-9)16(18,19)20/h5-8H,3-4H2,1-2H3
InChIKeyJPAVEONNEWBMQN-UHFFFAOYSA-N
XLogP4.76
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-methyl-3-propylpyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chloro-1-methyl-3-propylpyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CID 985905) is 2-(4-chloro-1-methyl-3-propylpyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chloro-1-methyl-3-propylpyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chloro-1-methyl-3-propylpyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is CCCc1nn(C)c(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)c1Cl.
What is the InChIKey of 2-(4-chloro-1-methyl-3-propylpyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is JPAVEONNEWBMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N4O/c1-3-4-11-12(17)13(24(2)23-11)15-22-21-14(25-15)9-5-7-10(8-6-9)16(18,19)20/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-(4-chloro-1-methyl-3-propylpyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
2-(4-chloro-1-methyl-3-propylpyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 370.76 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-methyl-3-propylpyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 985905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).