3-(methylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one

C14H18N4O2 — CID 137449083

IUPAC3-(methylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one
SMILESCNc1cccn(-c2cnn(CC3CCOC3)c2)c1=O
InChIInChI=1S/C14H18N4O2/c1-15-13-3-2-5-18(14(13)19)12-7-16-17(9-12)8-11-4-6-20-10-11/h2-3,5,7,9,11,15H,4,6,8,10H2,1H3
InChIKeyYOMUMOFCBWREJK-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.11
Rot. Bonds4

About 3-(methylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one

3-(methylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one (PubChem CID 137449083) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(methylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one
PubChem CID137449083
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-(methylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one
SMILESCNc1cccn(-c2cnn(CC3CCOC3)c2)c1=O
InChIInChI=1S/C14H18N4O2/c1-15-13-3-2-5-18(14(13)19)12-7-16-17(9-12)8-11-4-6-20-10-11/h2-3,5,7,9,11,15H,4,6,8,10H2,1H3
InChIKeyYOMUMOFCBWREJK-UHFFFAOYSA-N
XLogP1.11
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 3-(methylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one (CID 137449083) is 3-(methylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 3-(methylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 3-(methylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one is CNc1cccn(-c2cnn(CC3CCOC3)c2)c1=O.
What is the InChIKey of 3-(methylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one?
The InChIKey is YOMUMOFCBWREJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-15-13-3-2-5-18(14(13)19)12-7-16-17(9-12)8-11-4-6-20-10-11/h2-3,5,7,9,11,15H,4,6,8,10H2,1H3.
What are the key properties of 3-(methylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one?
3-(methylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 137449083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).