benzyl 3,4-dihydropyrazole-2-carboxylate

C11H12N2O2 — CID 71421247

IUPACbenzyl 3,4-dihydropyrazole-2-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC=N1
InChIInChI=1S/C11H12N2O2/c14-11(13-8-4-7-12-13)15-9-10-5-2-1-3-6-10/h1-3,5-7H,4,8-9H2
InChIKeyBUUKWFVCUOMKTL-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.01
Rot. Bonds2

About benzyl 3,4-dihydropyrazole-2-carboxylate

benzyl 3,4-dihydropyrazole-2-carboxylate (PubChem CID 71421247) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is benzyl 3,4-dihydropyrazole-2-carboxylate.

Molecular Properties

Compound Namebenzyl 3,4-dihydropyrazole-2-carboxylate
PubChem CID71421247
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namebenzyl 3,4-dihydropyrazole-2-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC=N1
InChIInChI=1S/C11H12N2O2/c14-11(13-8-4-7-12-13)15-9-10-5-2-1-3-6-10/h1-3,5-7H,4,8-9H2
InChIKeyBUUKWFVCUOMKTL-UHFFFAOYSA-N
XLogP2.01
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 3,4-dihydropyrazole-2-carboxylate?
The IUPAC name of benzyl 3,4-dihydropyrazole-2-carboxylate (CID 71421247) is benzyl 3,4-dihydropyrazole-2-carboxylate.
What is the SMILES notation for benzyl 3,4-dihydropyrazole-2-carboxylate?
The canonical SMILES for benzyl 3,4-dihydropyrazole-2-carboxylate is O=C(OCc1ccccc1)N1CCC=N1.
What is the InChIKey of benzyl 3,4-dihydropyrazole-2-carboxylate?
The InChIKey is BUUKWFVCUOMKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-11(13-8-4-7-12-13)15-9-10-5-2-1-3-6-10/h1-3,5-7H,4,8-9H2.
What are the key properties of benzyl 3,4-dihydropyrazole-2-carboxylate?
benzyl 3,4-dihydropyrazole-2-carboxylate has a molecular weight of 204.23 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3,4-dihydropyrazole-2-carboxylate is sourced from PubChem (CID 71421247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).