2-(2-propyloctyl)pyrazole-3-carboxylic acid

C15H26N2O2 — CID 174164689

IUPAC2-(2-propyloctyl)pyrazole-3-carboxylic acid
SMILESCCCCCCC(CCC)Cn1nccc1C(=O)O
InChIInChI=1S/C15H26N2O2/c1-3-5-6-7-9-13(8-4-2)12-17-14(15(18)19)10-11-16-17/h10-11,13H,3-9,12H2,1-2H3,(H,18,19)
InChIKeyRXJXZBIHMYYYDX-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.97
Rot. Bonds10

About 2-(2-propyloctyl)pyrazole-3-carboxylic acid

2-(2-propyloctyl)pyrazole-3-carboxylic acid (PubChem CID 174164689) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-(2-propyloctyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-propyloctyl)pyrazole-3-carboxylic acid
PubChem CID174164689
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-(2-propyloctyl)pyrazole-3-carboxylic acid
SMILESCCCCCCC(CCC)Cn1nccc1C(=O)O
InChIInChI=1S/C15H26N2O2/c1-3-5-6-7-9-13(8-4-2)12-17-14(15(18)19)10-11-16-17/h10-11,13H,3-9,12H2,1-2H3,(H,18,19)
InChIKeyRXJXZBIHMYYYDX-UHFFFAOYSA-N
XLogP3.97
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.97
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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Related Compounds

2-(2-methylpropyl)pyrazole-3-carboxylic acid
CID 19619900
2-propylpyrazole-3-carboxylic acid
CID 7017775
1-(2-ethylpyrazol-3-yl)nonan-1-one
CID 114972411
2-[1-(heptan-2-ylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489807
2-(2-hydroxy-2-methylpropyl)pyrazole-3-carboxylic acid
CID 175703524
4-propyloctadecanoyl benzoate
CID 91015338
phthalic acid;2-propylheptan-1-ol
CID 158502005
2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485649
4-(2-octyldodecyl)pyridine-3-carboxylic acid
CID 23053579
1-(2-ethylpyrazol-3-yl)-N-methylhexan-1-amine
CID 115858222
4-(1-trimethylsilyloctyl)benzoic acid
CID 19763849
2-[1-(butylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19489815

Frequently Asked Questions

What is the IUPAC name of 2-(2-propyloctyl)pyrazole-3-carboxylic acid?
The IUPAC name of 2-(2-propyloctyl)pyrazole-3-carboxylic acid (CID 174164689) is 2-(2-propyloctyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-(2-propyloctyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 2-(2-propyloctyl)pyrazole-3-carboxylic acid is CCCCCCC(CCC)Cn1nccc1C(=O)O.
What is the InChIKey of 2-(2-propyloctyl)pyrazole-3-carboxylic acid?
The InChIKey is RXJXZBIHMYYYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-5-6-7-9-13(8-4-2)12-17-14(15(18)19)10-11-16-17/h10-11,13H,3-9,12H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-propyloctyl)pyrazole-3-carboxylic acid?
2-(2-propyloctyl)pyrazole-3-carboxylic acid has a molecular weight of 266.38 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propyloctyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 174164689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).