3-amino-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one

C9H10N4O — CID 91667406

IUPAC3-amino-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one
SMILESCn1cc(-c2c[nH]c(=O)c(N)c2)cn1
InChIInChI=1S/C9H10N4O/c1-13-5-7(4-12-13)6-2-8(10)9(14)11-3-6/h2-5H,10H2,1H3,(H,11,14)
InChIKeyZGGRJKLRPVNTDT-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.36
Rot. Bonds1

About 3-amino-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one

3-amino-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one (PubChem CID 91667406) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 3-amino-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one
PubChem CID91667406
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name3-amino-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one
SMILESCn1cc(-c2c[nH]c(=O)c(N)c2)cn1
InChIInChI=1S/C9H10N4O/c1-13-5-7(4-12-13)6-2-8(10)9(14)11-3-6/h2-5H,10H2,1H3,(H,11,14)
InChIKeyZGGRJKLRPVNTDT-UHFFFAOYSA-N
XLogP0.36
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one (CID 91667406) is 3-amino-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one is Cn1cc(-c2c[nH]c(=O)c(N)c2)cn1.
What is the InChIKey of 3-amino-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one?
The InChIKey is ZGGRJKLRPVNTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-13-5-7(4-12-13)6-2-8(10)9(14)11-3-6/h2-5H,10H2,1H3,(H,11,14).
What are the key properties of 3-amino-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one?
3-amino-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one has a molecular weight of 190.21 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1-methylpyrazol-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 91667406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).