(2,5-dimethylpyrazol-3-yl) 2,3,4,5-tetramethylbenzoate

C16H20N2O2 — CID 20662013

IUPAC(2,5-dimethylpyrazol-3-yl) 2,3,4,5-tetramethylbenzoate
SMILESCc1cc(OC(=O)c2cc(C)c(C)c(C)c2C)n(C)n1
InChIInChI=1S/C16H20N2O2/c1-9-7-14(13(5)12(4)11(9)3)16(19)20-15-8-10(2)17-18(15)6/h7-8H,1-6H3
InChIKeyMWSAHFSKXPZDMD-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.18
Rot. Bonds2

About (2,5-dimethylpyrazol-3-yl) 2,3,4,5-tetramethylbenzoate

(2,5-dimethylpyrazol-3-yl) 2,3,4,5-tetramethylbenzoate (PubChem CID 20662013) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl) 2,3,4,5-tetramethylbenzoate.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl) 2,3,4,5-tetramethylbenzoate
PubChem CID20662013
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(2,5-dimethylpyrazol-3-yl) 2,3,4,5-tetramethylbenzoate
SMILESCc1cc(OC(=O)c2cc(C)c(C)c(C)c2C)n(C)n1
InChIInChI=1S/C16H20N2O2/c1-9-7-14(13(5)12(4)11(9)3)16(19)20-15-8-10(2)17-18(15)6/h7-8H,1-6H3
InChIKeyMWSAHFSKXPZDMD-UHFFFAOYSA-N
XLogP3.18
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl) 2,3,4,5-tetramethylbenzoate?
The IUPAC name of (2,5-dimethylpyrazol-3-yl) 2,3,4,5-tetramethylbenzoate (CID 20662013) is (2,5-dimethylpyrazol-3-yl) 2,3,4,5-tetramethylbenzoate.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl) 2,3,4,5-tetramethylbenzoate?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl) 2,3,4,5-tetramethylbenzoate is Cc1cc(OC(=O)c2cc(C)c(C)c(C)c2C)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl) 2,3,4,5-tetramethylbenzoate?
The InChIKey is MWSAHFSKXPZDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-9-7-14(13(5)12(4)11(9)3)16(19)20-15-8-10(2)17-18(15)6/h7-8H,1-6H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl) 2,3,4,5-tetramethylbenzoate?
(2,5-dimethylpyrazol-3-yl) 2,3,4,5-tetramethylbenzoate has a molecular weight of 272.35 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl) 2,3,4,5-tetramethylbenzoate is sourced from PubChem (CID 20662013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).