methyl 3-(4-formyl-3,5-dimethylpyrazol-1-yl)propanoate

C10H14N2O3 — CID 30491482

IUPACmethyl 3-(4-formyl-3,5-dimethylpyrazol-1-yl)propanoate
SMILESCOC(=O)CCn1nc(C)c(C=O)c1C
InChIInChI=1S/C10H14N2O3/c1-7-9(6-13)8(2)12(11-7)5-4-10(14)15-3/h6H,4-5H2,1-3H3
InChIKeyNDUFFKJPKSHLPD-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.88
Rot. Bonds4

About methyl 3-(4-formyl-3,5-dimethylpyrazol-1-yl)propanoate

methyl 3-(4-formyl-3,5-dimethylpyrazol-1-yl)propanoate (PubChem CID 30491482) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 3-(4-formyl-3,5-dimethylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-formyl-3,5-dimethylpyrazol-1-yl)propanoate
PubChem CID30491482
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namemethyl 3-(4-formyl-3,5-dimethylpyrazol-1-yl)propanoate
SMILESCOC(=O)CCn1nc(C)c(C=O)c1C
InChIInChI=1S/C10H14N2O3/c1-7-9(6-13)8(2)12(11-7)5-4-10(14)15-3/h6H,4-5H2,1-3H3
InChIKeyNDUFFKJPKSHLPD-UHFFFAOYSA-N
XLogP0.88
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze methyl 3-(4-formyl-3,5-dimethylpyrazol-1-yl)propanoate 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

1,3,5-trimethyl-1H-pyrazole-4-carboxylic acid
CID 736514
1,3,5-trimethyl-1H-pyrazole-4-carboxaldehyde
CID 736515
3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanoic acid
CID 1096386
3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid
CID 653648
1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
CID 3157461
1-(trimethyl-1H-pyrazol-4-yl)ethan-1-one
CID 136903
1-Ethyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
CID 1133641
3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)butanoic acid
CID 2984081
1-(2-hydroxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid
CID 16781597
4-Formyl-3,5-dimethyl-1H-pyrazole-1-propanoic acid
CID 30491485
3,5-Dimethyl-1-propyl-1H-pyrazole-4-carbaldehyde
CID 6486756
3-(3,4,5-Trimethyl-pyrazol-1-yl)-butyric acid
CID 3160220

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-formyl-3,5-dimethylpyrazol-1-yl)propanoate?
The IUPAC name of methyl 3-(4-formyl-3,5-dimethylpyrazol-1-yl)propanoate (CID 30491482) is methyl 3-(4-formyl-3,5-dimethylpyrazol-1-yl)propanoate.
What is the SMILES notation for methyl 3-(4-formyl-3,5-dimethylpyrazol-1-yl)propanoate?
The canonical SMILES for methyl 3-(4-formyl-3,5-dimethylpyrazol-1-yl)propanoate is COC(=O)CCn1nc(C)c(C=O)c1C.
What is the InChIKey of methyl 3-(4-formyl-3,5-dimethylpyrazol-1-yl)propanoate?
The InChIKey is NDUFFKJPKSHLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7-9(6-13)8(2)12(11-7)5-4-10(14)15-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 3-(4-formyl-3,5-dimethylpyrazol-1-yl)propanoate?
methyl 3-(4-formyl-3,5-dimethylpyrazol-1-yl)propanoate has a molecular weight of 210.23 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-formyl-3,5-dimethylpyrazol-1-yl)propanoate is sourced from PubChem (CID 30491482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).