2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazol-1-yl]acetic acid

C11H15N3O2 — CID 70254282

IUPAC2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazol-1-yl]acetic acid
SMILESCN1CC=C(c2cnn(CC(=O)O)c2)CC1
InChIInChI=1S/C11H15N3O2/c1-13-4-2-9(3-5-13)10-6-12-14(7-10)8-11(15)16/h2,6-7H,3-5,8H2,1H3,(H,15,16)
InChIKeyUOQWXFOMAFORSJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.69
Rot. Bonds3

About 2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazol-1-yl]acetic acid

2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazol-1-yl]acetic acid (PubChem CID 70254282) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazol-1-yl]acetic acid
PubChem CID70254282
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazol-1-yl]acetic acid
SMILESCN1CC=C(c2cnn(CC(=O)O)c2)CC1
InChIInChI=1S/C11H15N3O2/c1-13-4-2-9(3-5-13)10-6-12-14(7-10)8-11(15)16/h2,6-7H,3-5,8H2,1H3,(H,15,16)
InChIKeyUOQWXFOMAFORSJ-UHFFFAOYSA-N
XLogP0.69
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazol-1-yl]acetic acid (CID 70254282) is 2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazol-1-yl]acetic acid is CN1CC=C(c2cnn(CC(=O)O)c2)CC1.
What is the InChIKey of 2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazol-1-yl]acetic acid?
The InChIKey is UOQWXFOMAFORSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-13-4-2-9(3-5-13)10-6-12-14(7-10)8-11(15)16/h2,6-7H,3-5,8H2,1H3,(H,15,16).
What are the key properties of 2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazol-1-yl]acetic acid?
2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazol-1-yl]acetic acid has a molecular weight of 221.26 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 70254282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).