2-[2-(1-ethylpyrazol-4-yl)pyrrolidin-1-yl]acetic acid

C11H17N3O2 — CID 25248422

IUPAC2-[2-(1-ethylpyrazol-4-yl)pyrrolidin-1-yl]acetic acid
SMILESCCn1cc(C2CCCN2CC(=O)O)cn1
InChIInChI=1S/C11H17N3O2/c1-2-14-7-9(6-12-14)10-4-3-5-13(10)8-11(15)16/h6-7,10H,2-5,8H2,1H3,(H,15,16)
InChIKeyRQGZMMXUSAMWDQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.12
Rot. Bonds4

About 2-[2-(1-ethylpyrazol-4-yl)pyrrolidin-1-yl]acetic acid

2-[2-(1-ethylpyrazol-4-yl)pyrrolidin-1-yl]acetic acid (PubChem CID 25248422) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[2-(1-ethylpyrazol-4-yl)pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-ethylpyrazol-4-yl)pyrrolidin-1-yl]acetic acid
PubChem CID25248422
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[2-(1-ethylpyrazol-4-yl)pyrrolidin-1-yl]acetic acid
SMILESCCn1cc(C2CCCN2CC(=O)O)cn1
InChIInChI=1S/C11H17N3O2/c1-2-14-7-9(6-12-14)10-4-3-5-13(10)8-11(15)16/h6-7,10H,2-5,8H2,1H3,(H,15,16)
InChIKeyRQGZMMXUSAMWDQ-UHFFFAOYSA-N
XLogP1.12
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethylpyrazol-4-yl)pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[2-(1-ethylpyrazol-4-yl)pyrrolidin-1-yl]acetic acid (CID 25248422) is 2-[2-(1-ethylpyrazol-4-yl)pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(1-ethylpyrazol-4-yl)pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-(1-ethylpyrazol-4-yl)pyrrolidin-1-yl]acetic acid is CCn1cc(C2CCCN2CC(=O)O)cn1.
What is the InChIKey of 2-[2-(1-ethylpyrazol-4-yl)pyrrolidin-1-yl]acetic acid?
The InChIKey is RQGZMMXUSAMWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-14-7-9(6-12-14)10-4-3-5-13(10)8-11(15)16/h6-7,10H,2-5,8H2,1H3,(H,15,16).
What are the key properties of 2-[2-(1-ethylpyrazol-4-yl)pyrrolidin-1-yl]acetic acid?
2-[2-(1-ethylpyrazol-4-yl)pyrrolidin-1-yl]acetic acid has a molecular weight of 223.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethylpyrazol-4-yl)pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 25248422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).