1-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylpropan-1-one

C10H16N2O2 — CID 170286805

IUPAC1-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylpropan-1-one
SMILESCOCc1cc(C(=O)C(C)C)n(C)n1
InChIInChI=1S/C10H16N2O2/c1-7(2)10(13)9-5-8(6-14-4)11-12(9)3/h5,7H,6H2,1-4H3
InChIKeyZQPUDIOHKADMIT-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.41
Rot. Bonds4

About 1-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylpropan-1-one

1-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylpropan-1-one (PubChem CID 170286805) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylpropan-1-one
PubChem CID170286805
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylpropan-1-one
SMILESCOCc1cc(C(=O)C(C)C)n(C)n1
InChIInChI=1S/C10H16N2O2/c1-7(2)10(13)9-5-8(6-14-4)11-12(9)3/h5,7H,6H2,1-4H3
InChIKeyZQPUDIOHKADMIT-UHFFFAOYSA-N
XLogP1.41
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one
CID 105119427
1-ethyl-3-(methoxymethyl)pyrazole-5-carboxylic acid
CID 117216170
5-bromo-3-(methoxymethyl)-1-methylpyrazole
CID 105456952
[3-(methoxymethyl)-1-methylpyrazol-5-yl]boronic acid
CID 170902310
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone
CID 105115019
3-(methoxymethyl)-1-methyl-N-[5-[(1S,5R)-6-(propan-2-ylcarbamoyl)-3-bicyclo[3.1.0]hexanyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
CID 170073507
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114308825
3-(methoxymethyl)-1-methyl-N-[5-[3-[2-oxo-2-(propan-2-ylamino)ethyl]cyclobutyl]-1H-pyrazol-3-yl]pyrazole-5-carboxamide
CID 164879753
methyl 1-methyl-3-(2-oxoethyl)pyrazole-5-carboxylate
CID 164718842
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
methyl 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetate
CID 66120166
1-methyl-3-(propan-2-ylsulfonylmethyl)pyrazole-5-carboxylic acid
CID 117215953

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylpropan-1-one (CID 170286805) is 1-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylpropan-1-one is COCc1cc(C(=O)C(C)C)n(C)n1.
What is the InChIKey of 1-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylpropan-1-one?
The InChIKey is ZQPUDIOHKADMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(2)10(13)9-5-8(6-14-4)11-12(9)3/h5,7H,6H2,1-4H3.
What are the key properties of 1-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylpropan-1-one?
1-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylpropan-1-one has a molecular weight of 196.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylpropan-1-one is sourced from PubChem (CID 170286805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).