[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone

C11H15N3O2 — CID 114412341

IUPAC[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCOCC1=CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H15N3O2/c1-16-8-9-2-4-14(5-3-9)11(15)10-6-12-13-7-10/h2,6-7H,3-5,8H2,1H3,(H,12,13)
InChIKeyONBPIFJWJITPSH-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.83
Rot. Bonds3

About [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone

[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 114412341) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID114412341
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESCOCC1=CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H15N3O2/c1-16-8-9-2-4-14(5-3-9)11(15)10-6-12-13-7-10/h2,6-7H,3-5,8H2,1H3,(H,12,13)
InChIKeyONBPIFJWJITPSH-UHFFFAOYSA-N
XLogP0.83
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6-bromo-3-pyridinyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114408641
azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
4-[4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1-methylpyridin-2-one
CID 104919718
1H-indol-6-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114390176
azetidin-3-yl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114409778
(2-chloro-6-ethyl-4-pyridinyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114408661
(4-bromo-2,6-difluorophenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114390156
2,2-difluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 103516108
4-(methoxymethyl)-N-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 114401798
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 114409872
(2,5-dihydroxyphenyl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 107723876
(2,5-dibromothiophen-3-yl)-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 104919707

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone (CID 114412341) is [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone is COCC1=CCN(C(=O)c2cn[nH]c2)CC1.
What is the InChIKey of [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is ONBPIFJWJITPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-16-8-9-2-4-14(5-3-9)11(15)10-6-12-13-7-10/h2,6-7H,3-5,8H2,1H3,(H,12,13).
What are the key properties of [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone?
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 221.26 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 114412341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).