1-(1,2-oxazol-4-ylmethyl)pyrazol-4-amine

C7H8N4O — CID 60871341

IUPAC1-(1,2-oxazol-4-ylmethyl)pyrazol-4-amine
SMILESNc1cnn(Cc2cnoc2)c1
InChIInChI=1S/C7H8N4O/c8-7-2-9-11(4-7)3-6-1-10-12-5-6/h1-2,4-5H,3,8H2
InChIKeyNQFXFMDVZWSGCK-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.50
Rot. Bonds2

About 1-(1,2-oxazol-4-ylmethyl)pyrazol-4-amine

1-(1,2-oxazol-4-ylmethyl)pyrazol-4-amine (PubChem CID 60871341) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 1-(1,2-oxazol-4-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(1,2-oxazol-4-ylmethyl)pyrazol-4-amine
PubChem CID60871341
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name1-(1,2-oxazol-4-ylmethyl)pyrazol-4-amine
SMILESNc1cnn(Cc2cnoc2)c1
InChIInChI=1S/C7H8N4O/c8-7-2-9-11(4-7)3-6-1-10-12-5-6/h1-2,4-5H,3,8H2
InChIKeyNQFXFMDVZWSGCK-UHFFFAOYSA-N
XLogP0.50
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-4-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-(1,2-oxazol-4-ylmethyl)pyrazol-4-amine (CID 60871341) is 1-(1,2-oxazol-4-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-(1,2-oxazol-4-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-(1,2-oxazol-4-ylmethyl)pyrazol-4-amine is Nc1cnn(Cc2cnoc2)c1.
What is the InChIKey of 1-(1,2-oxazol-4-ylmethyl)pyrazol-4-amine?
The InChIKey is NQFXFMDVZWSGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c8-7-2-9-11(4-7)3-6-1-10-12-5-6/h1-2,4-5H,3,8H2.
What are the key properties of 1-(1,2-oxazol-4-ylmethyl)pyrazol-4-amine?
1-(1,2-oxazol-4-ylmethyl)pyrazol-4-amine has a molecular weight of 164.17 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-4-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 60871341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).