ethyl 2-(4-methylpyrazol-1-yl)butanoate

C10H16N2O2 — CID 25248356

IUPACethyl 2-(4-methylpyrazol-1-yl)butanoate
SMILESCCOC(=O)C(CC)n1cc(C)cn1
InChIInChI=1S/C10H16N2O2/c1-4-9(10(13)14-5-2)12-7-8(3)6-11-12/h6-7,9H,4-5H2,1-3H3
InChIKeyRYZXOZWWEVSPNZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.71
Rot. Bonds4

About ethyl 2-(4-methylpyrazol-1-yl)butanoate

ethyl 2-(4-methylpyrazol-1-yl)butanoate (PubChem CID 25248356) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl 2-(4-methylpyrazol-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(4-methylpyrazol-1-yl)butanoate
PubChem CID25248356
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameethyl 2-(4-methylpyrazol-1-yl)butanoate
SMILESCCOC(=O)C(CC)n1cc(C)cn1
InChIInChI=1S/C10H16N2O2/c1-4-9(10(13)14-5-2)12-7-8(3)6-11-12/h6-7,9H,4-5H2,1-3H3
InChIKeyRYZXOZWWEVSPNZ-UHFFFAOYSA-N
XLogP1.71
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(4-bromo-1H-pyrazol-1-yl)-2-methylpropanoate
CID 59231678
2-(4-methyl-1H-pyrazol-1-yl)acetic acid
CID 6485345
2-(4-formyl-1H-pyrazol-1-yl)ethyl acetate
CID 54593338
ethyl 2-(4-bromo-1H-pyrazol-1-yl)acetate
CID 7017475
2-(4-Methyl-Pyrazol-1-Yl)-Propionic Acid
CID 17024576
methyl 2-(4-bromo-1H-pyrazol-1-yl)propanoate
CID 17024860
3-methyl-2-(4-methyl-1H-pyrazol-1-yl)butanoic acid
CID 25248695
ethyl 2-(4-iodo-1H-pyrazol-1-yl)-2-methylpropanoate
CID 57911028
tert-butyl 2-(4-formyl-1H-pyrazol-1-yl)acetate
CID 88975469
tert-butyl 2-(4-ethynyl-1H-pyrazol-1-yl)acetate
CID 122240640
methyl 2-{[(1-methyl-1H-pyrazol-4-yl)methyl]amino}acetate hydrochloride
CID 54592896
Methyl 2-(4-ethynyl-1H-pyrazol-1-yl)acetate
CID 119056314

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylpyrazol-1-yl)butanoate?
The IUPAC name of ethyl 2-(4-methylpyrazol-1-yl)butanoate (CID 25248356) is ethyl 2-(4-methylpyrazol-1-yl)butanoate.
What is the SMILES notation for ethyl 2-(4-methylpyrazol-1-yl)butanoate?
The canonical SMILES for ethyl 2-(4-methylpyrazol-1-yl)butanoate is CCOC(=O)C(CC)n1cc(C)cn1.
What is the InChIKey of ethyl 2-(4-methylpyrazol-1-yl)butanoate?
The InChIKey is RYZXOZWWEVSPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-9(10(13)14-5-2)12-7-8(3)6-11-12/h6-7,9H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(4-methylpyrazol-1-yl)butanoate?
ethyl 2-(4-methylpyrazol-1-yl)butanoate has a molecular weight of 196.25 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylpyrazol-1-yl)butanoate is sourced from PubChem (CID 25248356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).