2-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid

C11H17N3O2 — CID 79383563

IUPAC2-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1Cc1ccnn1C
InChIInChI=1S/C11H17N3O2/c1-8-10(11(15)16)4-6-14(8)7-9-3-5-12-13(9)2/h3,5,8,10H,4,6-7H2,1-2H3,(H,15,16)
InChIKeyVMBMMTCBJFANKQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.72
Rot. Bonds3

About 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid

2-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 79383563) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID79383563
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1Cc1ccnn1C
InChIInChI=1S/C11H17N3O2/c1-8-10(11(15)16)4-6-14(8)7-9-3-5-12-13(9)2/h3,5,8,10H,4,6-7H2,1-2H3,(H,15,16)
InChIKeyVMBMMTCBJFANKQ-UHFFFAOYSA-N
XLogP0.72
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid (CID 79383563) is 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1Cc1ccnn1C.
What is the InChIKey of 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is VMBMMTCBJFANKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-10(11(15)16)4-6-14(8)7-9-3-5-12-13(9)2/h3,5,8,10H,4,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid?
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79383563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).