3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide

C13H18N4O2 — CID 138004506

IUPAC3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1cc(CNC(=O)c2cn(C(C)C)nc2C)no1
InChIInChI=1S/C13H18N4O2/c1-8(2)17-7-12(10(4)15-17)13(18)14-6-11-5-9(3)19-16-11/h5,7-8H,6H2,1-4H3,(H,14,18)
InChIKeyHZIZPWDOMWZADF-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.00
Rot. Bonds4

About 3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide

3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 138004506) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID138004506
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCc1cc(CNC(=O)c2cn(C(C)C)nc2C)no1
InChIInChI=1S/C13H18N4O2/c1-8(2)17-7-12(10(4)15-17)13(18)14-6-11-5-9(3)19-16-11/h5,7-8H,6H2,1-4H3,(H,14,18)
InChIKeyHZIZPWDOMWZADF-UHFFFAOYSA-N
XLogP2.00
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 138004506) is 3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide is Cc1cc(CNC(=O)c2cn(C(C)C)nc2C)no1.
What is the InChIKey of 3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is HZIZPWDOMWZADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8(2)17-7-12(10(4)15-17)13(18)14-6-11-5-9(3)19-16-11/h5,7-8H,6H2,1-4H3,(H,14,18).
What are the key properties of 3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide?
3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 138004506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).