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

C15H20N4O2 — CID 139425565

IUPAC3-(ethylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one
SMILESCCNc1cccn(-c2cnn(CC3CCOC3)c2)c1=O
InChIInChI=1S/C15H20N4O2/c1-2-16-14-4-3-6-19(15(14)20)13-8-17-18(10-13)9-12-5-7-21-11-12/h3-4,6,8,10,12,16H,2,5,7,9,11H2,1H3
InChIKeyCYZMKCMEVAKYQM-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.50
Rot. Bonds5

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

3-(ethylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one (PubChem CID 139425565) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(ethylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one
PubChem CID139425565
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-(ethylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one
SMILESCCNc1cccn(-c2cnn(CC3CCOC3)c2)c1=O
InChIInChI=1S/C15H20N4O2/c1-2-16-14-4-3-6-19(15(14)20)13-8-17-18(10-13)9-12-5-7-21-11-12/h3-4,6,8,10,12,16H,2,5,7,9,11H2,1H3
InChIKeyCYZMKCMEVAKYQM-UHFFFAOYSA-N
XLogP1.50
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 3-(ethylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one (CID 139425565) is 3-(ethylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 3-(ethylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one is CCNc1cccn(-c2cnn(CC3CCOC3)c2)c1=O.
What is the InChIKey of 3-(ethylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one?
The InChIKey is CYZMKCMEVAKYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-16-14-4-3-6-19(15(14)20)13-8-17-18(10-13)9-12-5-7-21-11-12/h3-4,6,8,10,12,16H,2,5,7,9,11H2,1H3.
What are the key properties of 3-(ethylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one?
3-(ethylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one has a molecular weight of 288.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 139425565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).