2-[1-(1-ethylpyrrolidin-3-yl)pyrazol-4-yl]acetic acid

C11H17N3O2 — CID 105480595

IUPAC2-[1-(1-ethylpyrrolidin-3-yl)pyrazol-4-yl]acetic acid
SMILESCCN1CCC(n2cc(CC(=O)O)cn2)C1
InChIInChI=1S/C11H17N3O2/c1-2-13-4-3-10(8-13)14-7-9(6-12-14)5-11(15)16/h6-7,10H,2-5,8H2,1H3,(H,15,16)
InChIKeyVBNQORGTTFZHHM-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.78
Rot. Bonds4

About 2-[1-(1-ethylpyrrolidin-3-yl)pyrazol-4-yl]acetic acid

2-[1-(1-ethylpyrrolidin-3-yl)pyrazol-4-yl]acetic acid (PubChem CID 105480595) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[1-(1-ethylpyrrolidin-3-yl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-ethylpyrrolidin-3-yl)pyrazol-4-yl]acetic acid
PubChem CID105480595
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[1-(1-ethylpyrrolidin-3-yl)pyrazol-4-yl]acetic acid
SMILESCCN1CCC(n2cc(CC(=O)O)cn2)C1
InChIInChI=1S/C11H17N3O2/c1-2-13-4-3-10(8-13)14-7-9(6-12-14)5-11(15)16/h6-7,10H,2-5,8H2,1H3,(H,15,16)
InChIKeyVBNQORGTTFZHHM-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]acetic acid
CID 84733244
2-[1-(thietan-3-yl)pyrazol-4-yl]acetic acid
CID 84733617
[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]methanethiol
CID 155403635
2-[1-(1-ethylpiperidin-3-yl)pyrazol-4-yl]acetonitrile
CID 105473088
2-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]acetonitrile
CID 105473093
1-(4-ethylmorpholin-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 79666582
2-[1-(thiolan-2-yl)pyrazol-4-yl]acetic acid
CID 105466020
5-[4-[4-(aminomethyl)pyrazol-1-yl]piperidin-1-yl]pentan-2-one
CID 176978583
1-(1,5-diethylazepan-3-yl)pyrazol-4-amine
CID 139421017
1-[4-[[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]methyl]cyclohexyl]propan-1-one
CID 155739865
2-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]propanoic acid
CID 105480591
1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 79666666

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethylpyrrolidin-3-yl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(1-ethylpyrrolidin-3-yl)pyrazol-4-yl]acetic acid (CID 105480595) is 2-[1-(1-ethylpyrrolidin-3-yl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-ethylpyrrolidin-3-yl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(1-ethylpyrrolidin-3-yl)pyrazol-4-yl]acetic acid is CCN1CCC(n2cc(CC(=O)O)cn2)C1.
What is the InChIKey of 2-[1-(1-ethylpyrrolidin-3-yl)pyrazol-4-yl]acetic acid?
The InChIKey is VBNQORGTTFZHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-13-4-3-10(8-13)14-7-9(6-12-14)5-11(15)16/h6-7,10H,2-5,8H2,1H3,(H,15,16).
What are the key properties of 2-[1-(1-ethylpyrrolidin-3-yl)pyrazol-4-yl]acetic acid?
2-[1-(1-ethylpyrrolidin-3-yl)pyrazol-4-yl]acetic acid has a molecular weight of 223.28 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethylpyrrolidin-3-yl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 105480595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).