6-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazinan-2-one

C9H13N3O2 — CID 123794786

IUPAC6-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazinan-2-one
SMILESCc1cnn(CC2CCNC(=O)O2)c1
InChIInChI=1S/C9H13N3O2/c1-7-4-11-12(5-7)6-8-2-3-10-9(13)14-8/h4-5,8H,2-3,6H2,1H3,(H,10,13)
InChIKeySGYTVKVFQGQEJQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.69
Rot. Bonds2

About 6-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazinan-2-one

6-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazinan-2-one (PubChem CID 123794786) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 6-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazinan-2-one
PubChem CID123794786
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name6-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazinan-2-one
SMILESCc1cnn(CC2CCNC(=O)O2)c1
InChIInChI=1S/C9H13N3O2/c1-7-4-11-12(5-7)6-8-2-3-10-9(13)14-8/h4-5,8H,2-3,6H2,1H3,(H,10,13)
InChIKeySGYTVKVFQGQEJQ-UHFFFAOYSA-N
XLogP0.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidoethyl)-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 53582922
tert-butyl N-[(1-but-2-ynylpyrazol-4-yl)methyl]carbamate
CID 75508475
2,2,2-trifluoroethyl N-[(1-methylpyrazol-4-yl)methyl]carbamate
CID 61357223
2,2,2-trifluoroethyl N-[2-(4-methylpyrazol-1-yl)ethyl]carbamate
CID 113238080
tert-butyl N-{[1-(2-fluoroethyl)-1H-pyrazol-4-yl]methyl}carbamate
CID 165913301
ethyl 4-{[3-(4-methyl-1H-pyrazol-1-yl)propyl]amino}piperidine-1-carboxylate
CID 50970753
N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-(2-morpholinyl)acetamide hydrochloride
CID 50979897
(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 52908184
(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 52908186
tert-butyl ((1-methyl-1H-pyrazol-4-yl)methyl)carbamate
CID 63789221
5-((4-iodo-1H-pyrazol-1-yl)methyl)oxazolidin-2-one
CID 64431192
[1-(2-Methoxyethyl)pyrazol-4-yl]methylcarbamic acid
CID 68570486

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazinan-2-one?
The IUPAC name of 6-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazinan-2-one (CID 123794786) is 6-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 6-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazinan-2-one?
The canonical SMILES for 6-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazinan-2-one is Cc1cnn(CC2CCNC(=O)O2)c1.
What is the InChIKey of 6-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazinan-2-one?
The InChIKey is SGYTVKVFQGQEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-7-4-11-12(5-7)6-8-2-3-10-9(13)14-8/h4-5,8H,2-3,6H2,1H3,(H,10,13).
What are the key properties of 6-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazinan-2-one?
6-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazinan-2-one has a molecular weight of 195.22 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 123794786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).