3-amino-1-(1-cyclopropylpyrazol-4-yl)pyridin-2-one

C11H12N4O — CID 177200210

IUPAC3-amino-1-(1-cyclopropylpyrazol-4-yl)pyridin-2-one
SMILESNc1cccn(-c2cnn(C3CC3)c2)c1=O
InChIInChI=1S/C11H12N4O/c12-10-2-1-5-14(11(10)16)9-6-13-15(7-9)8-3-4-8/h1-2,5-8H,3-4,12H2
InChIKeyYABIUKHQWCFPRE-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.95
Rot. Bonds2

About 3-amino-1-(1-cyclopropylpyrazol-4-yl)pyridin-2-one

3-amino-1-(1-cyclopropylpyrazol-4-yl)pyridin-2-one (PubChem CID 177200210) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-amino-1-(1-cyclopropylpyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(1-cyclopropylpyrazol-4-yl)pyridin-2-one
PubChem CID177200210
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3-amino-1-(1-cyclopropylpyrazol-4-yl)pyridin-2-one
SMILESNc1cccn(-c2cnn(C3CC3)c2)c1=O
InChIInChI=1S/C11H12N4O/c12-10-2-1-5-14(11(10)16)9-6-13-15(7-9)8-3-4-8/h1-2,5-8H,3-4,12H2
InChIKeyYABIUKHQWCFPRE-UHFFFAOYSA-N
XLogP0.95
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1-cyclopropylpyrazol-4-yl)pyridin-2-one?
The IUPAC name of 3-amino-1-(1-cyclopropylpyrazol-4-yl)pyridin-2-one (CID 177200210) is 3-amino-1-(1-cyclopropylpyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 3-amino-1-(1-cyclopropylpyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 3-amino-1-(1-cyclopropylpyrazol-4-yl)pyridin-2-one is Nc1cccn(-c2cnn(C3CC3)c2)c1=O.
What is the InChIKey of 3-amino-1-(1-cyclopropylpyrazol-4-yl)pyridin-2-one?
The InChIKey is YABIUKHQWCFPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-10-2-1-5-14(11(10)16)9-6-13-15(7-9)8-3-4-8/h1-2,5-8H,3-4,12H2.
What are the key properties of 3-amino-1-(1-cyclopropylpyrazol-4-yl)pyridin-2-one?
3-amino-1-(1-cyclopropylpyrazol-4-yl)pyridin-2-one has a molecular weight of 216.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1-cyclopropylpyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 177200210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).