1-ethyl-2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylic acid

C14H22N2O2 — CID 135353576

IUPAC1-ethyl-2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylic acid
SMILESCCC1(C(=O)O)CCCC1c1ccnn1C(C)C
InChIInChI=1S/C14H22N2O2/c1-4-14(13(17)18)8-5-6-11(14)12-7-9-15-16(12)10(2)3/h7,9-11H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyYZBSWAFLOCHWAF-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.21
Rot. Bonds4

About 1-ethyl-2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylic acid

1-ethyl-2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylic acid (PubChem CID 135353576) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-ethyl-2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylic acid
PubChem CID135353576
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-ethyl-2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylic acid
SMILESCCC1(C(=O)O)CCCC1c1ccnn1C(C)C
InChIInChI=1S/C14H22N2O2/c1-4-14(13(17)18)8-5-6-11(14)12-7-9-15-16(12)10(2)3/h7,9-11H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyYZBSWAFLOCHWAF-UHFFFAOYSA-N
XLogP3.21
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-ethyl-2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylic acid (CID 135353576) is 1-ethyl-2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-ethyl-2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylic acid is CCC1(C(=O)O)CCCC1c1ccnn1C(C)C.
What is the InChIKey of 1-ethyl-2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylic acid?
The InChIKey is YZBSWAFLOCHWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-14(13(17)18)8-5-6-11(14)12-7-9-15-16(12)10(2)3/h7,9-11H,4-6,8H2,1-3H3,(H,17,18).
What are the key properties of 1-ethyl-2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylic acid?
1-ethyl-2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 135353576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).