3-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-6-methyl-1H-pyridin-2-one

C15H20N4O — CID 29253571

IUPAC3-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(CN(C)Cc2cc(C3CC3)n[nH]2)c(=O)[nH]1
InChIInChI=1S/C15H20N4O/c1-10-3-4-12(15(20)16-10)8-19(2)9-13-7-14(18-17-13)11-5-6-11/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyOUGSDKFGVGCNKE-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.92
Rot. Bonds5

About 3-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-6-methyl-1H-pyridin-2-one

3-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-6-methyl-1H-pyridin-2-one (PubChem CID 29253571) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-6-methyl-1H-pyridin-2-one
PubChem CID29253571
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(CN(C)Cc2cc(C3CC3)n[nH]2)c(=O)[nH]1
InChIInChI=1S/C15H20N4O/c1-10-3-4-12(15(20)16-10)8-19(2)9-13-7-14(18-17-13)11-5-6-11/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyOUGSDKFGVGCNKE-UHFFFAOYSA-N
XLogP1.92
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-6-methyl-1H-pyridin-2-one (CID 29253571) is 3-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-6-methyl-1H-pyridin-2-one is Cc1ccc(CN(C)Cc2cc(C3CC3)n[nH]2)c(=O)[nH]1.
What is the InChIKey of 3-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is OUGSDKFGVGCNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-3-4-12(15(20)16-10)8-19(2)9-13-7-14(18-17-13)11-5-6-11/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of 3-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-6-methyl-1H-pyridin-2-one?
3-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 272.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]methyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 29253571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).