3-methyl-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-1-propylpyrazole-4-carboxamide

C17H20N6O2 — CID 46956962

IUPAC3-methyl-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCc2nnc(-c3ccc(C)nc3)o2)c(C)n1
InChIInChI=1S/C17H20N6O2/c1-4-7-23-10-14(12(3)22-23)16(24)19-9-15-20-21-17(25-15)13-6-5-11(2)18-8-13/h5-6,8,10H,4,7,9H2,1-3H3,(H,19,24)
InChIKeyOWPWYJXMLVLMOG-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.28
Rot. Bonds6

About 3-methyl-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-1-propylpyrazole-4-carboxamide

3-methyl-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-1-propylpyrazole-4-carboxamide (PubChem CID 46956962) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-methyl-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-1-propylpyrazole-4-carboxamide
PubChem CID46956962
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name3-methyl-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCc2nnc(-c3ccc(C)nc3)o2)c(C)n1
InChIInChI=1S/C17H20N6O2/c1-4-7-23-10-14(12(3)22-23)16(24)19-9-15-20-21-17(25-15)13-6-5-11(2)18-8-13/h5-6,8,10H,4,7,9H2,1-3H3,(H,19,24)
InChIKeyOWPWYJXMLVLMOG-UHFFFAOYSA-N
XLogP2.28
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-1-propylpyrazole-4-carboxamide (CID 46956962) is 3-methyl-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-1-propylpyrazole-4-carboxamide is CCCn1cc(C(=O)NCc2nnc(-c3ccc(C)nc3)o2)c(C)n1.
What is the InChIKey of 3-methyl-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-1-propylpyrazole-4-carboxamide?
The InChIKey is OWPWYJXMLVLMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-4-7-23-10-14(12(3)22-23)16(24)19-9-15-20-21-17(25-15)13-6-5-11(2)18-8-13/h5-6,8,10H,4,7,9H2,1-3H3,(H,19,24).
What are the key properties of 3-methyl-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-1-propylpyrazole-4-carboxamide?
3-methyl-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-1-propylpyrazole-4-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[5-(6-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 46956962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).