2,5-dimethyl-1-(1-methylpyrazol-3-yl)pyrrole-3-carboxylic acid

C11H13N3O2 — CID 60810452

IUPAC2,5-dimethyl-1-(1-methylpyrazol-3-yl)pyrrole-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C)n1-c1ccn(C)n1
InChIInChI=1S/C11H13N3O2/c1-7-6-9(11(15)16)8(2)14(7)10-4-5-13(3)12-10/h4-6H,1-3H3,(H,15,16)
InChIKeyPPIOIPPXESWTRF-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.53
Rot. Bonds2

About 2,5-dimethyl-1-(1-methylpyrazol-3-yl)pyrrole-3-carboxylic acid

2,5-dimethyl-1-(1-methylpyrazol-3-yl)pyrrole-3-carboxylic acid (PubChem CID 60810452) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2,5-dimethyl-1-(1-methylpyrazol-3-yl)pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-1-(1-methylpyrazol-3-yl)pyrrole-3-carboxylic acid
PubChem CID60810452
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2,5-dimethyl-1-(1-methylpyrazol-3-yl)pyrrole-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(C)n1-c1ccn(C)n1
InChIInChI=1S/C11H13N3O2/c1-7-6-9(11(15)16)8(2)14(7)10-4-5-13(3)12-10/h4-6H,1-3H3,(H,15,16)
InChIKeyPPIOIPPXESWTRF-UHFFFAOYSA-N
XLogP1.53
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(1-methylpyrazol-3-yl)pyrrole-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-1-(1-methylpyrazol-3-yl)pyrrole-3-carboxylic acid (CID 60810452) is 2,5-dimethyl-1-(1-methylpyrazol-3-yl)pyrrole-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-1-(1-methylpyrazol-3-yl)pyrrole-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-1-(1-methylpyrazol-3-yl)pyrrole-3-carboxylic acid is Cc1cc(C(=O)O)c(C)n1-c1ccn(C)n1.
What is the InChIKey of 2,5-dimethyl-1-(1-methylpyrazol-3-yl)pyrrole-3-carboxylic acid?
The InChIKey is PPIOIPPXESWTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7-6-9(11(15)16)8(2)14(7)10-4-5-13(3)12-10/h4-6H,1-3H3,(H,15,16).
What are the key properties of 2,5-dimethyl-1-(1-methylpyrazol-3-yl)pyrrole-3-carboxylic acid?
2,5-dimethyl-1-(1-methylpyrazol-3-yl)pyrrole-3-carboxylic acid has a molecular weight of 219.24 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(1-methylpyrazol-3-yl)pyrrole-3-carboxylic acid is sourced from PubChem (CID 60810452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).