ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoate

C11H18N2O2 — CID 23005991

IUPACethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)Cc1c(C)n[nH]c1C
InChIInChI=1S/C11H18N2O2/c1-5-15-11(14)7(2)6-10-8(3)12-13-9(10)4/h7H,5-6H2,1-4H3,(H,12,13)
InChIKeyYWTABRXMMWZYIO-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.77
Rot. Bonds4

About ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoate

ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoate (PubChem CID 23005991) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoate
PubChem CID23005991
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)Cc1c(C)n[nH]c1C
InChIInChI=1S/C11H18N2O2/c1-5-15-11(14)7(2)6-10-8(3)12-13-9(10)4/h7H,5-6H2,1-4H3,(H,12,13)
InChIKeyYWTABRXMMWZYIO-UHFFFAOYSA-N
XLogP1.77
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-propan-2-ylamino]acetate
CID 61021953
methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]-2-methylpropanoate
CID 55008582
ethyl 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropanoate
CID 23005995
methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propanoate
CID 60780721
methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-methylpentanoate
CID 43732460
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N,2-dimethyl-N-(2-phenylethyl)propanamide
CID 71867002
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-2-methylpropan-1-amine
CID 79219214
cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoyl]amino]cyclohexane-1-carboxamide
CID 100873532
(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide
CID 95906195
ethyl 4-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrazole-3-carboxylate
CID 156825900
ethyl 2-methyl-3-pyridin-4-ylpropanoate
CID 22939399
ethyl 4-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]butanoate
CID 60718057

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoate?
The IUPAC name of ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoate (CID 23005991) is ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoate is CCOC(=O)C(C)Cc1c(C)n[nH]c1C.
What is the InChIKey of ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoate?
The InChIKey is YWTABRXMMWZYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-15-11(14)7(2)6-10-8(3)12-13-9(10)4/h7H,5-6H2,1-4H3,(H,12,13).
What are the key properties of ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoate?
ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoate has a molecular weight of 210.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoate is sourced from PubChem (CID 23005991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).