methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate

C10H16N2O2 — CID 43538173

IUPACmethyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)Cn1nc(C)cc1C
InChIInChI=1S/C10H16N2O2/c1-7(10(13)14-4)6-12-9(3)5-8(2)11-12/h5,7H,6H2,1-4H3
InChIKeyDMJIEBNPPBQEMR-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.31
Rot. Bonds3

About methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate

methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate (PubChem CID 43538173) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate
PubChem CID43538173
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Namemethyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)Cn1nc(C)cc1C
InChIInChI=1S/C10H16N2O2/c1-7(10(13)14-4)6-12-9(3)5-8(2)11-12/h5,7H,6H2,1-4H3
InChIKeyDMJIEBNPPBQEMR-UHFFFAOYSA-N
XLogP1.31
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetamido-3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 65442025
(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid
CID 845395
methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
CID 60727791
(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide
CID 94185912
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
CID 166196436
(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 42588574
2-(3,5-dimethylpyrazol-1-yl)ethyl 2-methylbutanoate
CID 134460631
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-pyridin-2-ylpropanamide
CID 15943520
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea
CID 60546682
N-(3-acetylphenyl)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanamide
CID 16877058
methyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]butanoate
CID 115977434
3-(3-amino-5-methylpyrazol-1-yl)-2-methylpropanamide
CID 130496612

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate?
The IUPAC name of methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate (CID 43538173) is methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate?
The canonical SMILES for methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate is COC(=O)C(C)Cn1nc(C)cc1C.
What is the InChIKey of methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate?
The InChIKey is DMJIEBNPPBQEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(10(13)14-4)6-12-9(3)5-8(2)11-12/h5,7H,6H2,1-4H3.
What are the key properties of methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate?
methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate has a molecular weight of 196.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate is sourced from PubChem (CID 43538173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).