methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate

C9H14N2O2 — CID 23006105

IUPACmethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
SMILESCOC(=O)CCn1nc(C)cc1C
InChIInChI=1S/C9H14N2O2/c1-7-6-8(2)11(10-7)5-4-9(12)13-3/h6H,4-5H2,1-3H3
InChIKeyQFALMQGMKGACLP-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.06
Rot. Bonds3

About methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate

methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate (PubChem CID 23006105) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
PubChem CID23006105
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Namemethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
SMILESCOC(=O)CCn1nc(C)cc1C
InChIInChI=1S/C9H14N2O2/c1-7-6-8(2)11(10-7)5-4-9(12)13-3/h6H,4-5H2,1-3H3
InChIKeyQFALMQGMKGACLP-UHFFFAOYSA-N
XLogP1.06
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-Dimethyl-1H-pyrazol-1-yl)acetic acid
CID 572875
2-(3,5-dimethyl-1H-pyrazol-1-yl)succinic acid
CID 2791626
1-Allyl-3,5-dimethylpyrazole
CID 25930
4-(3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid
CID 3159309
3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid
CID 3131824
1H-Pyrazole-1-acetic acid, 5-methyl-3-(trifluoromethyl)-, ethyl ester
CID 667902
3-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid
CID 2758649
1-(2-methoxyethyl)-3,5-dimethyl-1H-pyrazole
CID 21014234
(2-(3,5-Dimethyl-1-pyrazolyl)ethylthio)acetic acid
CID 3127258
1-Butyl-3,5-dimethyl-1H-pyrazole
CID 573083
methyl 3-(3-methyl-1H-pyrazol-1-yl)propanoate
CID 786247
2-(3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl)acetic acid
CID 6485412

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate?
The IUPAC name of methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate (CID 23006105) is methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate.
What is the SMILES notation for methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate?
The canonical SMILES for methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate is COC(=O)CCn1nc(C)cc1C.
What is the InChIKey of methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate?
The InChIKey is QFALMQGMKGACLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7-6-8(2)11(10-7)5-4-9(12)13-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate?
methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate has a molecular weight of 182.22 g/mol, XLogP of 1.06, 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)propanoate is sourced from PubChem (CID 23006105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).