(4-methylphenyl)methyl pyrazole-1-carboxylate

C12H12N2O2 — CID 118709052

IUPAC(4-methylphenyl)methyl pyrazole-1-carboxylate
SMILESCc1ccc(COC(=O)n2cccn2)cc1
InChIInChI=1S/C12H12N2O2/c1-10-3-5-11(6-4-10)9-16-12(15)14-8-2-7-13-14/h2-8H,9H2,1H3
InChIKeyZNKSVTLHTWUOQQ-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.38
Rot. Bonds2

About (4-methylphenyl)methyl pyrazole-1-carboxylate

(4-methylphenyl)methyl pyrazole-1-carboxylate (PubChem CID 118709052) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (4-methylphenyl)methyl pyrazole-1-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl)methyl pyrazole-1-carboxylate
PubChem CID118709052
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(4-methylphenyl)methyl pyrazole-1-carboxylate
SMILESCc1ccc(COC(=O)n2cccn2)cc1
InChIInChI=1S/C12H12N2O2/c1-10-3-5-11(6-4-10)9-16-12(15)14-8-2-7-13-14/h2-8H,9H2,1H3
InChIKeyZNKSVTLHTWUOQQ-UHFFFAOYSA-N
XLogP2.38
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl pyrazole-1-carboxylate?
The IUPAC name of (4-methylphenyl)methyl pyrazole-1-carboxylate (CID 118709052) is (4-methylphenyl)methyl pyrazole-1-carboxylate.
What is the SMILES notation for (4-methylphenyl)methyl pyrazole-1-carboxylate?
The canonical SMILES for (4-methylphenyl)methyl pyrazole-1-carboxylate is Cc1ccc(COC(=O)n2cccn2)cc1.
What is the InChIKey of (4-methylphenyl)methyl pyrazole-1-carboxylate?
The InChIKey is ZNKSVTLHTWUOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-10-3-5-11(6-4-10)9-16-12(15)14-8-2-7-13-14/h2-8H,9H2,1H3.
What are the key properties of (4-methylphenyl)methyl pyrazole-1-carboxylate?
(4-methylphenyl)methyl pyrazole-1-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl pyrazole-1-carboxylate is sourced from PubChem (CID 118709052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).