2-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]acetic acid

C11H15N3O3 — CID 103116940

IUPAC2-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]acetic acid
SMILESCn1ccc(C(=O)N2CCC(CC(=O)O)C2)n1
InChIInChI=1S/C11H15N3O3/c1-13-4-3-9(12-13)11(17)14-5-2-8(7-14)6-10(15)16/h3-4,8H,2,5-7H2,1H3,(H,15,16)
InChIKeyQWHXRYDQJWAHMN-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.36
Rot. Bonds3

About 2-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]acetic acid

2-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]acetic acid (PubChem CID 103116940) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]acetic acid
PubChem CID103116940
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]acetic acid
SMILESCn1ccc(C(=O)N2CCC(CC(=O)O)C2)n1
InChIInChI=1S/C11H15N3O3/c1-13-4-3-9(12-13)11(17)14-5-2-8(7-14)6-10(15)16/h3-4,8H,2,5-7H2,1H3,(H,15,16)
InChIKeyQWHXRYDQJWAHMN-UHFFFAOYSA-N
XLogP0.36
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]acetic acid (CID 103116940) is 2-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]acetic acid is Cn1ccc(C(=O)N2CCC(CC(=O)O)C2)n1.
What is the InChIKey of 2-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]acetic acid?
The InChIKey is QWHXRYDQJWAHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-13-4-3-9(12-13)11(17)14-5-2-8(7-14)6-10(15)16/h3-4,8H,2,5-7H2,1H3,(H,15,16).
What are the key properties of 2-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]acetic acid?
2-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]acetic acid has a molecular weight of 237.26 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 103116940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).