methyl 2-[5-[(4-methylpyrazol-1-yl)methyl]-2-pyridinyl]acetate

C13H15N3O2 — CID 150282683

IUPACmethyl 2-[5-[(4-methylpyrazol-1-yl)methyl]-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ccc(Cn2cc(C)cn2)cn1
InChIInChI=1S/C13H15N3O2/c1-10-6-15-16(8-10)9-11-3-4-12(14-7-11)5-13(17)18-2/h3-4,6-8H,5,9H2,1-2H3
InChIKeyGFXOLSLEHVNYBV-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.35
Rot. Bonds4

About methyl 2-[5-[(4-methylpyrazol-1-yl)methyl]-2-pyridinyl]acetate

methyl 2-[5-[(4-methylpyrazol-1-yl)methyl]-2-pyridinyl]acetate (PubChem CID 150282683) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 2-[5-[(4-methylpyrazol-1-yl)methyl]-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[(4-methylpyrazol-1-yl)methyl]-2-pyridinyl]acetate
PubChem CID150282683
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Namemethyl 2-[5-[(4-methylpyrazol-1-yl)methyl]-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ccc(Cn2cc(C)cn2)cn1
InChIInChI=1S/C13H15N3O2/c1-10-6-15-16(8-10)9-11-3-4-12(14-7-11)5-13(17)18-2/h3-4,6-8H,5,9H2,1-2H3
InChIKeyGFXOLSLEHVNYBV-UHFFFAOYSA-N
XLogP1.35
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 170756022
methyl 2-[4-[(4-hydroxypyrazol-1-yl)methyl]phenyl]acetate
CID 170835877
2-chloro-5-[(4-methylpyrazol-1-yl)methyl]pyridine
CID 60872723
1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone
CID 170580245
4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole
CID 134423680
5-bromo-2-[(4-methylpyrazol-1-yl)methyl]pyridine
CID 104809156
1-(2-hydroxyethyl)-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea
CID 111111772
trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane
CID 103438533
1-[[3-chloro-4-(2-methoxy-2-oxoethyl)phenyl]methyl]pyrazole-4-carboxylic acid
CID 171090516
methyl 2-(5-methylsulfonyl-2-pyridinyl)acetate
CID 170337554
[4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol
CID 158250652
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526387

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(4-methylpyrazol-1-yl)methyl]-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-[(4-methylpyrazol-1-yl)methyl]-2-pyridinyl]acetate (CID 150282683) is methyl 2-[5-[(4-methylpyrazol-1-yl)methyl]-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-[(4-methylpyrazol-1-yl)methyl]-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-[(4-methylpyrazol-1-yl)methyl]-2-pyridinyl]acetate is COC(=O)Cc1ccc(Cn2cc(C)cn2)cn1.
What is the InChIKey of methyl 2-[5-[(4-methylpyrazol-1-yl)methyl]-2-pyridinyl]acetate?
The InChIKey is GFXOLSLEHVNYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10-6-15-16(8-10)9-11-3-4-12(14-7-11)5-13(17)18-2/h3-4,6-8H,5,9H2,1-2H3.
What are the key properties of methyl 2-[5-[(4-methylpyrazol-1-yl)methyl]-2-pyridinyl]acetate?
methyl 2-[5-[(4-methylpyrazol-1-yl)methyl]-2-pyridinyl]acetate has a molecular weight of 245.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(4-methylpyrazol-1-yl)methyl]-2-pyridinyl]acetate is sourced from PubChem (CID 150282683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).