1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide

C9H10N4O2 — CID 5128644

IUPAC1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(C)c2)no1
InChIInChI=1S/C9H10N4O2/c1-6-3-8(12-15-6)11-9(14)7-4-10-13(2)5-7/h3-5H,1-2H3,(H,11,12,14)
InChIKeyKXUVVJNIKIVUCE-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.97
Rot. Bonds2

About 1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide

1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide (PubChem CID 5128644) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
PubChem CID5128644
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cnn(C)c2)no1
InChIInChI=1S/C9H10N4O2/c1-6-3-8(12-15-6)11-9(14)7-4-10-13(2)5-7/h3-5H,1-2H3,(H,11,12,14)
InChIKeyKXUVVJNIKIVUCE-UHFFFAOYSA-N
XLogP0.97
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide (CID 5128644) is 1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide is Cc1cc(NC(=O)c2cnn(C)c2)no1.
What is the InChIKey of 1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide?
The InChIKey is KXUVVJNIKIVUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-6-3-8(12-15-6)11-9(14)7-4-10-13(2)5-7/h3-5H,1-2H3,(H,11,12,14).
What are the key properties of 1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide?
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide has a molecular weight of 206.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 5128644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).