9-(4-phenylpyrazol-1-yl)nonanoic acid

C18H24N2O2 — CID 15725731

IUPAC9-(4-phenylpyrazol-1-yl)nonanoic acid
SMILESO=C(O)CCCCCCCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C18H24N2O2/c21-18(22)12-8-3-1-2-4-9-13-20-15-17(14-19-20)16-10-6-5-7-11-16/h5-7,10-11,14-15H,1-4,8-9,12-13H2,(H,21,22)
InChIKeyGMOKEGDNKBXVDW-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.37
Rot. Bonds10

About 9-(4-phenylpyrazol-1-yl)nonanoic acid

9-(4-phenylpyrazol-1-yl)nonanoic acid (PubChem CID 15725731) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 9-(4-phenylpyrazol-1-yl)nonanoic acid.

Molecular Properties

Compound Name9-(4-phenylpyrazol-1-yl)nonanoic acid
PubChem CID15725731
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name9-(4-phenylpyrazol-1-yl)nonanoic acid
SMILESO=C(O)CCCCCCCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C18H24N2O2/c21-18(22)12-8-3-1-2-4-9-13-20-15-17(14-19-20)16-10-6-5-7-11-16/h5-7,10-11,14-15H,1-4,8-9,12-13H2,(H,21,22)
InChIKeyGMOKEGDNKBXVDW-UHFFFAOYSA-N
XLogP4.37
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 9-(4-phenylpyrazol-1-yl)nonanoic acid?
The IUPAC name of 9-(4-phenylpyrazol-1-yl)nonanoic acid (CID 15725731) is 9-(4-phenylpyrazol-1-yl)nonanoic acid.
What is the SMILES notation for 9-(4-phenylpyrazol-1-yl)nonanoic acid?
The canonical SMILES for 9-(4-phenylpyrazol-1-yl)nonanoic acid is O=C(O)CCCCCCCCn1cc(-c2ccccc2)cn1.
What is the InChIKey of 9-(4-phenylpyrazol-1-yl)nonanoic acid?
The InChIKey is GMOKEGDNKBXVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-18(22)12-8-3-1-2-4-9-13-20-15-17(14-19-20)16-10-6-5-7-11-16/h5-7,10-11,14-15H,1-4,8-9,12-13H2,(H,21,22).
What are the key properties of 9-(4-phenylpyrazol-1-yl)nonanoic acid?
9-(4-phenylpyrazol-1-yl)nonanoic acid has a molecular weight of 300.40 g/mol, XLogP of 4.37, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-phenylpyrazol-1-yl)nonanoic acid is sourced from PubChem (CID 15725731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).