2-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]propanoic acid

C11H17N3O2 — CID 105480591

IUPAC2-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]propanoic acid
SMILESCCN1CC(n2cc(C(C)C(=O)O)cn2)C1
InChIInChI=1S/C11H17N3O2/c1-3-13-6-10(7-13)14-5-9(4-12-14)8(2)11(15)16/h4-5,8,10H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyNQJHOYGDPNWATG-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.95
Rot. Bonds4

About 2-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]propanoic acid

2-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]propanoic acid (PubChem CID 105480591) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]propanoic acid
PubChem CID105480591
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]propanoic acid
SMILESCCN1CC(n2cc(C(C)C(=O)O)cn2)C1
InChIInChI=1S/C11H17N3O2/c1-3-13-6-10(7-13)14-5-9(4-12-14)8(2)11(15)16/h4-5,8,10H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyNQJHOYGDPNWATG-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(oxetan-3-yl)pyrazol-4-yl]propanoic acid
CID 105449709
2-(1-cyclopropylpyrazol-4-yl)butanoic acid
CID 84773136
2-[1-(1-ethylpyrrolidin-3-yl)pyrazol-4-yl]acetic acid
CID 105480595
4-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]butan-2-one
CID 155402038
2-(1-cyclopropylpyrazol-4-yl)propan-1-amine
CID 84764977
1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one
CID 163401121
S-methyl 3-[3-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]propanethioate
CID 155405069
3-[1-(azetidin-3-yl)pyrazol-4-yl]-2-methylpropanoic acid
CID 105462907
6-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]hexan-3-one
CID 163401350
2-amino-2-(1-ethylpyrazol-4-yl)acetic acid
CID 83873853
2-methylsulfanyl-1-[4-(4-propan-2-ylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 156511021
2-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]acetic acid
CID 84733244

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]propanoic acid?
The IUPAC name of 2-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]propanoic acid (CID 105480591) is 2-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]propanoic acid.
What is the SMILES notation for 2-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]propanoic acid?
The canonical SMILES for 2-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]propanoic acid is CCN1CC(n2cc(C(C)C(=O)O)cn2)C1.
What is the InChIKey of 2-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]propanoic acid?
The InChIKey is NQJHOYGDPNWATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-13-6-10(7-13)14-5-9(4-12-14)8(2)11(15)16/h4-5,8,10H,3,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]propanoic acid?
2-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]propanoic acid has a molecular weight of 223.28 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethylazetidin-3-yl)pyrazol-4-yl]propanoic acid is sourced from PubChem (CID 105480591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).