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

C11H18N2O2 — CID 121212752

IUPACmethyl 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanoate
SMILESCOC(=O)CCc1c(C(C)C)n[nH]c1C
InChIInChI=1S/C11H18N2O2/c1-7(2)11-9(8(3)12-13-11)5-6-10(14)15-4/h7H,5-6H2,1-4H3,(H,12,13)
InChIKeyBMXICMIFQKNDBQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.95
Rot. Bonds4

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

methyl 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanoate (PubChem CID 121212752) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is methyl 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanoate
PubChem CID121212752
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Namemethyl 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanoate
SMILESCOC(=O)CCc1c(C(C)C)n[nH]c1C
InChIInChI=1S/C11H18N2O2/c1-7(2)11-9(8(3)12-13-11)5-6-10(14)15-4/h7H,5-6H2,1-4H3,(H,12,13)
InChIKeyBMXICMIFQKNDBQ-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]propanoate
CID 121213111
4-(2-chloroethyl)-5-methyl-3-propan-2-yl-1H-pyrazole
CID 121212794
4-(methoxymethyl)-5-methyl-3-propan-2-yl-1H-pyrazole
CID 89087640
3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile
CID 121212763
ethyl 4-(3-ethoxy-3-oxopropyl)-5-methyl-1H-pyrazole-3-carboxylate
CID 156825900
methyl 2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]propanoate
CID 60780721
methyl 3-[2-methanethioyl-4-(2-methoxy-2-oxoethyl)-5-methyl-1H-pyrrol-3-yl]propanoate
CID 10540951
methyl 2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoylamino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 71701127
methyl 3-(5-acetyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoate
CID 71049848
2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82780288
methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-methylamino]acetate
CID 43422778
methyl 3-[5-iodo-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrol-3-yl]propanoate
CID 10713855

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanoate?
The IUPAC name of methyl 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanoate (CID 121212752) is methyl 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanoate.
What is the SMILES notation for methyl 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanoate?
The canonical SMILES for methyl 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanoate is COC(=O)CCc1c(C(C)C)n[nH]c1C.
What is the InChIKey of methyl 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanoate?
The InChIKey is BMXICMIFQKNDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(2)11-9(8(3)12-13-11)5-6-10(14)15-4/h7H,5-6H2,1-4H3,(H,12,13).
What are the key properties of methyl 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanoate?
methyl 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanoate has a molecular weight of 210.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanoate is sourced from PubChem (CID 121212752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).