5-amino-1-[(1-methylpyrazol-4-yl)methyl]pyridin-2-one

C10H12N4O — CID 61314187

IUPAC5-amino-1-[(1-methylpyrazol-4-yl)methyl]pyridin-2-one
SMILESCn1cc(Cn2cc(N)ccc2=O)cn1
InChIInChI=1S/C10H12N4O/c1-13-5-8(4-12-13)6-14-7-9(11)2-3-10(14)15/h2-5,7H,6,11H2,1H3
InChIKeyZPGBURMQQRKOOX-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.21
Rot. Bonds2

About 5-amino-1-[(1-methylpyrazol-4-yl)methyl]pyridin-2-one

5-amino-1-[(1-methylpyrazol-4-yl)methyl]pyridin-2-one (PubChem CID 61314187) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-amino-1-[(1-methylpyrazol-4-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[(1-methylpyrazol-4-yl)methyl]pyridin-2-one
PubChem CID61314187
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name5-amino-1-[(1-methylpyrazol-4-yl)methyl]pyridin-2-one
SMILESCn1cc(Cn2cc(N)ccc2=O)cn1
InChIInChI=1S/C10H12N4O/c1-13-5-8(4-12-13)6-14-7-9(11)2-3-10(14)15/h2-5,7H,6,11H2,1H3
InChIKeyZPGBURMQQRKOOX-UHFFFAOYSA-N
XLogP0.21
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(1-methylpyrazol-4-yl)methyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[(1-methylpyrazol-4-yl)methyl]pyridin-2-one (CID 61314187) is 5-amino-1-[(1-methylpyrazol-4-yl)methyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[(1-methylpyrazol-4-yl)methyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[(1-methylpyrazol-4-yl)methyl]pyridin-2-one is Cn1cc(Cn2cc(N)ccc2=O)cn1.
What is the InChIKey of 5-amino-1-[(1-methylpyrazol-4-yl)methyl]pyridin-2-one?
The InChIKey is ZPGBURMQQRKOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-13-5-8(4-12-13)6-14-7-9(11)2-3-10(14)15/h2-5,7H,6,11H2,1H3.
What are the key properties of 5-amino-1-[(1-methylpyrazol-4-yl)methyl]pyridin-2-one?
5-amino-1-[(1-methylpyrazol-4-yl)methyl]pyridin-2-one has a molecular weight of 204.23 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(1-methylpyrazol-4-yl)methyl]pyridin-2-one is sourced from PubChem (CID 61314187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).