5-phenylpentyl pyrazole-1-carboxylate

C15H18N2O2 — CID 118709017

IUPAC5-phenylpentyl pyrazole-1-carboxylate
SMILESO=C(OCCCCCc1ccccc1)n1cccn1
InChIInChI=1S/C15H18N2O2/c18-15(17-12-7-11-16-17)19-13-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,11-12H,2,5-6,10,13H2
InChIKeyRYNWWSREZCLTLT-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.28
Rot. Bonds6

About 5-phenylpentyl pyrazole-1-carboxylate

5-phenylpentyl pyrazole-1-carboxylate (PubChem CID 118709017) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-phenylpentyl pyrazole-1-carboxylate.

Molecular Properties

Compound Name5-phenylpentyl pyrazole-1-carboxylate
PubChem CID118709017
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-phenylpentyl pyrazole-1-carboxylate
SMILESO=C(OCCCCCc1ccccc1)n1cccn1
InChIInChI=1S/C15H18N2O2/c18-15(17-12-7-11-16-17)19-13-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,11-12H,2,5-6,10,13H2
InChIKeyRYNWWSREZCLTLT-UHFFFAOYSA-N
XLogP3.28
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenylpentyl pyrazole-1-carboxylate?
The IUPAC name of 5-phenylpentyl pyrazole-1-carboxylate (CID 118709017) is 5-phenylpentyl pyrazole-1-carboxylate.
What is the SMILES notation for 5-phenylpentyl pyrazole-1-carboxylate?
The canonical SMILES for 5-phenylpentyl pyrazole-1-carboxylate is O=C(OCCCCCc1ccccc1)n1cccn1.
What is the InChIKey of 5-phenylpentyl pyrazole-1-carboxylate?
The InChIKey is RYNWWSREZCLTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-15(17-12-7-11-16-17)19-13-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,11-12H,2,5-6,10,13H2.
What are the key properties of 5-phenylpentyl pyrazole-1-carboxylate?
5-phenylpentyl pyrazole-1-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpentyl pyrazole-1-carboxylate is sourced from PubChem (CID 118709017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).