benzyl 2-(4-methylpyrazol-1-yl)acetate

C13H14N2O2 — CID 121256178

IUPACbenzyl 2-(4-methylpyrazol-1-yl)acetate
SMILESCc1cnn(CC(=O)OCc2ccccc2)c1
InChIInChI=1S/C13H14N2O2/c1-11-7-14-15(8-11)9-13(16)17-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3
InChIKeyRSCPHOZWMWPLOR-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.93
Rot. Bonds4

About benzyl 2-(4-methylpyrazol-1-yl)acetate

benzyl 2-(4-methylpyrazol-1-yl)acetate (PubChem CID 121256178) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is benzyl 2-(4-methylpyrazol-1-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-(4-methylpyrazol-1-yl)acetate
PubChem CID121256178
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namebenzyl 2-(4-methylpyrazol-1-yl)acetate
SMILESCc1cnn(CC(=O)OCc2ccccc2)c1
InChIInChI=1S/C13H14N2O2/c1-11-7-14-15(8-11)9-13(16)17-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3
InChIKeyRSCPHOZWMWPLOR-UHFFFAOYSA-N
XLogP1.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-(4-ethynylpyrazol-1-yl)acetate
CID 155798196
benzyl 2-[4-[4-(2-aminoethyl)phenyl]pyrazol-1-yl]acetate
CID 166637798
(4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 61285978
benzyl 2-(5-methylimidazol-1-yl)acetate
CID 118639372
(3-carbamoylphenyl)methyl 3-(4-methylpyrazol-1-yl)propanoate
CID 60562435
(4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 61316942
2-[2-[[2-(4-aminopyrazol-1-yl)acetyl]oxymethyl]phenyl]acetic acid
CID 115463289
benzyl 2-[4-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)pyrazol-1-yl]acetate
CID 172877635
benzyl 4-[(2S)-1-(4-methylpyrazol-1-yl)-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate
CID 156856746
ethyl 2-[4-(2-formyl-3-phenylmethoxyphenyl)pyrazol-1-yl]acetate
CID 172993917
benzyl 2-[3-(hydroxymethyl)azetidin-1-yl]acetate
CID 121105844
methyl 2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]benzoate
CID 60527491

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-methylpyrazol-1-yl)acetate?
The IUPAC name of benzyl 2-(4-methylpyrazol-1-yl)acetate (CID 121256178) is benzyl 2-(4-methylpyrazol-1-yl)acetate.
What is the SMILES notation for benzyl 2-(4-methylpyrazol-1-yl)acetate?
The canonical SMILES for benzyl 2-(4-methylpyrazol-1-yl)acetate is Cc1cnn(CC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl 2-(4-methylpyrazol-1-yl)acetate?
The InChIKey is RSCPHOZWMWPLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-11-7-14-15(8-11)9-13(16)17-10-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3.
What are the key properties of benzyl 2-(4-methylpyrazol-1-yl)acetate?
benzyl 2-(4-methylpyrazol-1-yl)acetate has a molecular weight of 230.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-methylpyrazol-1-yl)acetate is sourced from PubChem (CID 121256178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).