5-(1H-pyrazol-5-yl)pentyl formate

C9H14N2O2 — CID 174645463

IUPAC5-(1H-pyrazol-5-yl)pentyl formate
SMILESO=COCCCCCc1ccn[nH]1
InChIInChI=1S/C9H14N2O2/c12-8-13-7-3-1-2-4-9-5-6-10-11-9/h5-6,8H,1-4,7H2,(H,10,11)
InChIKeyYPDKJQBYGFKQBD-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.30
Rot. Bonds7

About 5-(1H-pyrazol-5-yl)pentyl formate

5-(1H-pyrazol-5-yl)pentyl formate (PubChem CID 174645463) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-(1H-pyrazol-5-yl)pentyl formate.

Molecular Properties

Compound Name5-(1H-pyrazol-5-yl)pentyl formate
PubChem CID174645463
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-(1H-pyrazol-5-yl)pentyl formate
SMILESO=COCCCCCc1ccn[nH]1
InChIInChI=1S/C9H14N2O2/c12-8-13-7-3-1-2-4-9-5-6-10-11-9/h5-6,8H,1-4,7H2,(H,10,11)
InChIKeyYPDKJQBYGFKQBD-UHFFFAOYSA-N
XLogP1.30
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-5-yl)pentyl formate?
The IUPAC name of 5-(1H-pyrazol-5-yl)pentyl formate (CID 174645463) is 5-(1H-pyrazol-5-yl)pentyl formate.
What is the SMILES notation for 5-(1H-pyrazol-5-yl)pentyl formate?
The canonical SMILES for 5-(1H-pyrazol-5-yl)pentyl formate is O=COCCCCCc1ccn[nH]1.
What is the InChIKey of 5-(1H-pyrazol-5-yl)pentyl formate?
The InChIKey is YPDKJQBYGFKQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-8-13-7-3-1-2-4-9-5-6-10-11-9/h5-6,8H,1-4,7H2,(H,10,11).
What are the key properties of 5-(1H-pyrazol-5-yl)pentyl formate?
5-(1H-pyrazol-5-yl)pentyl formate has a molecular weight of 182.22 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-5-yl)pentyl formate is sourced from PubChem (CID 174645463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).