(3-methyloxetan-3-yl)methyl 2-(5-methyl-1-phenylpyrazol-4-yl)acetate

C17H20N2O3 — CID 164973700

IUPAC(3-methyloxetan-3-yl)methyl 2-(5-methyl-1-phenylpyrazol-4-yl)acetate
SMILESCc1c(CC(=O)OCC2(C)COC2)cnn1-c1ccccc1
InChIInChI=1S/C17H20N2O3/c1-13-14(8-16(20)22-12-17(2)10-21-11-17)9-18-19(13)15-6-4-3-5-7-15/h3-7,9H,8,10-12H2,1-2H3
InChIKeyDMBGVUKNRDRSIN-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.30
Rot. Bonds5

About (3-methyloxetan-3-yl)methyl 2-(5-methyl-1-phenylpyrazol-4-yl)acetate

(3-methyloxetan-3-yl)methyl 2-(5-methyl-1-phenylpyrazol-4-yl)acetate (PubChem CID 164973700) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3-methyloxetan-3-yl)methyl 2-(5-methyl-1-phenylpyrazol-4-yl)acetate.

Molecular Properties

Compound Name(3-methyloxetan-3-yl)methyl 2-(5-methyl-1-phenylpyrazol-4-yl)acetate
PubChem CID164973700
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(3-methyloxetan-3-yl)methyl 2-(5-methyl-1-phenylpyrazol-4-yl)acetate
SMILESCc1c(CC(=O)OCC2(C)COC2)cnn1-c1ccccc1
InChIInChI=1S/C17H20N2O3/c1-13-14(8-16(20)22-12-17(2)10-21-11-17)9-18-19(13)15-6-4-3-5-7-15/h3-7,9H,8,10-12H2,1-2H3
InChIKeyDMBGVUKNRDRSIN-UHFFFAOYSA-N
XLogP2.30
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-methyloxetan-3-yl)methyl 2-(5-methyl-1-phenylpyrazol-4-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methyloxetan-3-yl)methyl 2-(5-methyl-1-phenylpyrazol-4-yl)acetate?
The IUPAC name of (3-methyloxetan-3-yl)methyl 2-(5-methyl-1-phenylpyrazol-4-yl)acetate (CID 164973700) is (3-methyloxetan-3-yl)methyl 2-(5-methyl-1-phenylpyrazol-4-yl)acetate.
What is the SMILES notation for (3-methyloxetan-3-yl)methyl 2-(5-methyl-1-phenylpyrazol-4-yl)acetate?
The canonical SMILES for (3-methyloxetan-3-yl)methyl 2-(5-methyl-1-phenylpyrazol-4-yl)acetate is Cc1c(CC(=O)OCC2(C)COC2)cnn1-c1ccccc1.
What is the InChIKey of (3-methyloxetan-3-yl)methyl 2-(5-methyl-1-phenylpyrazol-4-yl)acetate?
The InChIKey is DMBGVUKNRDRSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13-14(8-16(20)22-12-17(2)10-21-11-17)9-18-19(13)15-6-4-3-5-7-15/h3-7,9H,8,10-12H2,1-2H3.
What are the key properties of (3-methyloxetan-3-yl)methyl 2-(5-methyl-1-phenylpyrazol-4-yl)acetate?
(3-methyloxetan-3-yl)methyl 2-(5-methyl-1-phenylpyrazol-4-yl)acetate has a molecular weight of 300.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxetan-3-yl)methyl 2-(5-methyl-1-phenylpyrazol-4-yl)acetate is sourced from PubChem (CID 164973700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).