(1,5-dimethylpyrazol-3-yl)methyl 2-methylprop-2-enoate

C10H14N2O2 — CID 86175486

IUPAC(1,5-dimethylpyrazol-3-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cc(C)n(C)n1
InChIInChI=1S/C10H14N2O2/c1-7(2)10(13)14-6-9-5-8(3)12(4)11-9/h5H,1,6H2,2-4H3
InChIKeyZXDLGWHWDGRCBQ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.35
Rot. Bonds3

About (1,5-dimethylpyrazol-3-yl)methyl 2-methylprop-2-enoate

(1,5-dimethylpyrazol-3-yl)methyl 2-methylprop-2-enoate (PubChem CID 86175486) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)methyl 2-methylprop-2-enoate
PubChem CID86175486
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(1,5-dimethylpyrazol-3-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cc(C)n(C)n1
InChIInChI=1S/C10H14N2O2/c1-7(2)10(13)14-6-9-5-8(3)12(4)11-9/h5H,1,6H2,2-4H3
InChIKeyZXDLGWHWDGRCBQ-UHFFFAOYSA-N
XLogP1.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)methyl 2-methylprop-2-enoate?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)methyl 2-methylprop-2-enoate (CID 86175486) is (1,5-dimethylpyrazol-3-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1cc(C)n(C)n1.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)methyl 2-methylprop-2-enoate?
The InChIKey is ZXDLGWHWDGRCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(2)10(13)14-6-9-5-8(3)12(4)11-9/h5H,1,6H2,2-4H3.
What are the key properties of (1,5-dimethylpyrazol-3-yl)methyl 2-methylprop-2-enoate?
(1,5-dimethylpyrazol-3-yl)methyl 2-methylprop-2-enoate has a molecular weight of 194.23 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 86175486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).