7-(hydroxymethyl)-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylic acid

C14H13N3O3 — CID 123877077

IUPAC7-(hydroxymethyl)-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylic acid
SMILESCn1cc(-c2c(C(=O)O)cc3cc(CO)ccn23)cn1
InChIInChI=1S/C14H13N3O3/c1-16-7-10(6-15-16)13-12(14(19)20)5-11-4-9(8-18)2-3-17(11)13/h2-7,18H,8H2,1H3,(H,19,20)
InChIKeyVRZKUTXLRUCBKQ-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.53
Rot. Bonds3

About 7-(hydroxymethyl)-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylic acid

7-(hydroxymethyl)-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylic acid (PubChem CID 123877077) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 7-(hydroxymethyl)-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylic acid.

Molecular Properties

Compound Name7-(hydroxymethyl)-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylic acid
PubChem CID123877077
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name7-(hydroxymethyl)-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylic acid
SMILESCn1cc(-c2c(C(=O)O)cc3cc(CO)ccn23)cn1
InChIInChI=1S/C14H13N3O3/c1-16-7-10(6-15-16)13-12(14(19)20)5-11-4-9(8-18)2-3-17(11)13/h2-7,18H,8H2,1H3,(H,19,20)
InChIKeyVRZKUTXLRUCBKQ-UHFFFAOYSA-N
XLogP1.53
TPSA79.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylic acid?
The IUPAC name of 7-(hydroxymethyl)-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylic acid (CID 123877077) is 7-(hydroxymethyl)-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylic acid.
What is the SMILES notation for 7-(hydroxymethyl)-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylic acid?
The canonical SMILES for 7-(hydroxymethyl)-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylic acid is Cn1cc(-c2c(C(=O)O)cc3cc(CO)ccn23)cn1.
What is the InChIKey of 7-(hydroxymethyl)-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylic acid?
The InChIKey is VRZKUTXLRUCBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-16-7-10(6-15-16)13-12(14(19)20)5-11-4-9(8-18)2-3-17(11)13/h2-7,18H,8H2,1H3,(H,19,20).
What are the key properties of 7-(hydroxymethyl)-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylic acid?
7-(hydroxymethyl)-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-3-(1-methylpyrazol-4-yl)indolizine-2-carboxylic acid is sourced from PubChem (CID 123877077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).