N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide

C17H14N6O2 — CID 92566290

IUPACN-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCc1nnc(-c2nccc3ccccc23)o1
InChIInChI=1S/C17H14N6O2/c1-23-13(7-9-20-23)16(24)19-10-14-21-22-17(25-14)15-12-5-3-2-4-11(12)6-8-18-15/h2-9H,10H2,1H3,(H,19,24)
InChIKeyXZXVHSUWNAQAFK-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.95
Rot. Bonds4

About N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide

N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide (PubChem CID 92566290) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide
PubChem CID92566290
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC NameN-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCc1nnc(-c2nccc3ccccc23)o1
InChIInChI=1S/C17H14N6O2/c1-23-13(7-9-20-23)16(24)19-10-14-21-22-17(25-14)15-12-5-3-2-4-11(12)6-8-18-15/h2-9H,10H2,1H3,(H,19,24)
InChIKeyXZXVHSUWNAQAFK-UHFFFAOYSA-N
XLogP1.95
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide (CID 92566290) is N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCc1nnc(-c2nccc3ccccc23)o1.
What is the InChIKey of N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is XZXVHSUWNAQAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-23-13(7-9-20-23)16(24)19-10-14-21-22-17(25-14)15-12-5-3-2-4-11(12)6-8-18-15/h2-9H,10H2,1H3,(H,19,24).
What are the key properties of N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide?
N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)methyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 92566290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).