methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate

C9H14N2O2 — CID 23005837

IUPACmethyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
SMILESCOC(=O)C(C)c1c(C)n[nH]c1C
InChIInChI=1S/C9H14N2O2/c1-5(9(12)13-4)8-6(2)10-11-7(8)3/h5H,1-4H3,(H,10,11)
InChIKeyGSFYZPOXGNXPND-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.30
Rot. Bonds2

About methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate

methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate (PubChem CID 23005837) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
PubChem CID23005837
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Namemethyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
SMILESCOC(=O)C(C)c1c(C)n[nH]c1C
InChIInChI=1S/C9H14N2O2/c1-5(9(12)13-4)8-6(2)10-11-7(8)3/h5H,1-4H3,(H,10,11)
InChIKeyGSFYZPOXGNXPND-UHFFFAOYSA-N
XLogP1.30
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 2146178
methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
CID 7131483
Amino(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 3157464
ethyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
CID 47002468
2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 23005836
2-(3,5-diethyl-1H-pyrazol-4-yl)acetic acid
CID 50987854
tert-butyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)acetate
CID 66707418
methyl 5-methyl-4-propan-2-yl-1H-pyrazole-3-carboxylate
CID 12564629
[3-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl]acetic acid
CID 68628898
2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl fluoride
CID 177939702
3,5-Dimethyl-4-(2-methoxyethyl)-1H-pyrazole
CID 3253096
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2-difluoroacetic acid
CID 84719461

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate?
The IUPAC name of methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate (CID 23005837) is methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate.
What is the SMILES notation for methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate?
The canonical SMILES for methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate is COC(=O)C(C)c1c(C)n[nH]c1C.
What is the InChIKey of methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate?
The InChIKey is GSFYZPOXGNXPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5(9(12)13-4)8-6(2)10-11-7(8)3/h5H,1-4H3,(H,10,11).
What are the key properties of methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate?
methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate has a molecular weight of 182.22 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate is sourced from PubChem (CID 23005837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).