2-(1-cyclopentyl-3,5-diethylpyrazol-4-yl)acetic acid

C14H22N2O2 — CID 79219599

IUPAC2-(1-cyclopentyl-3,5-diethylpyrazol-4-yl)acetic acid
SMILESCCc1nn(C2CCCC2)c(CC)c1CC(=O)O
InChIInChI=1S/C14H22N2O2/c1-3-12-11(9-14(17)18)13(4-2)16(15-12)10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H,17,18)
InChIKeyPJZSZZLKCCVMEL-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.75
Rot. Bonds5

About 2-(1-cyclopentyl-3,5-diethylpyrazol-4-yl)acetic acid

2-(1-cyclopentyl-3,5-diethylpyrazol-4-yl)acetic acid (PubChem CID 79219599) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(1-cyclopentyl-3,5-diethylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclopentyl-3,5-diethylpyrazol-4-yl)acetic acid
PubChem CID79219599
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(1-cyclopentyl-3,5-diethylpyrazol-4-yl)acetic acid
SMILESCCc1nn(C2CCCC2)c(CC)c1CC(=O)O
InChIInChI=1S/C14H22N2O2/c1-3-12-11(9-14(17)18)13(4-2)16(15-12)10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H,17,18)
InChIKeyPJZSZZLKCCVMEL-UHFFFAOYSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-3,5-diethylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-(1-cyclopentyl-3,5-diethylpyrazol-4-yl)acetic acid (CID 79219599) is 2-(1-cyclopentyl-3,5-diethylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclopentyl-3,5-diethylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-(1-cyclopentyl-3,5-diethylpyrazol-4-yl)acetic acid is CCc1nn(C2CCCC2)c(CC)c1CC(=O)O.
What is the InChIKey of 2-(1-cyclopentyl-3,5-diethylpyrazol-4-yl)acetic acid?
The InChIKey is PJZSZZLKCCVMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-12-11(9-14(17)18)13(4-2)16(15-12)10-7-5-6-8-10/h10H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-(1-cyclopentyl-3,5-diethylpyrazol-4-yl)acetic acid?
2-(1-cyclopentyl-3,5-diethylpyrazol-4-yl)acetic acid has a molecular weight of 250.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyl-3,5-diethylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 79219599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).