5-(methylamino)-1-(2H-pyrrol-2-yl)pyrazole-4-carboxylic acid

C9H10N4O2 — CID 137450346

IUPAC5-(methylamino)-1-(2H-pyrrol-2-yl)pyrazole-4-carboxylic acid
SMILESCNc1c(C(=O)O)cnn1C1C=CC=N1
InChIInChI=1S/C9H10N4O2/c1-10-8-6(9(14)15)5-12-13(8)7-3-2-4-11-7/h2-5,7,10H,1H3,(H,14,15)
InChIKeyBKDYAGSLZANSGF-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.76
Rot. Bonds3

About 5-(methylamino)-1-(2H-pyrrol-2-yl)pyrazole-4-carboxylic acid

5-(methylamino)-1-(2H-pyrrol-2-yl)pyrazole-4-carboxylic acid (PubChem CID 137450346) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 5-(methylamino)-1-(2H-pyrrol-2-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(methylamino)-1-(2H-pyrrol-2-yl)pyrazole-4-carboxylic acid
PubChem CID137450346
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name5-(methylamino)-1-(2H-pyrrol-2-yl)pyrazole-4-carboxylic acid
SMILESCNc1c(C(=O)O)cnn1C1C=CC=N1
InChIInChI=1S/C9H10N4O2/c1-10-8-6(9(14)15)5-12-13(8)7-3-2-4-11-7/h2-5,7,10H,1H3,(H,14,15)
InChIKeyBKDYAGSLZANSGF-UHFFFAOYSA-N
XLogP0.76
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-1-(2H-pyrrol-2-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-(methylamino)-1-(2H-pyrrol-2-yl)pyrazole-4-carboxylic acid (CID 137450346) is 5-(methylamino)-1-(2H-pyrrol-2-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(methylamino)-1-(2H-pyrrol-2-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(methylamino)-1-(2H-pyrrol-2-yl)pyrazole-4-carboxylic acid is CNc1c(C(=O)O)cnn1C1C=CC=N1.
What is the InChIKey of 5-(methylamino)-1-(2H-pyrrol-2-yl)pyrazole-4-carboxylic acid?
The InChIKey is BKDYAGSLZANSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-10-8-6(9(14)15)5-12-13(8)7-3-2-4-11-7/h2-5,7,10H,1H3,(H,14,15).
What are the key properties of 5-(methylamino)-1-(2H-pyrrol-2-yl)pyrazole-4-carboxylic acid?
5-(methylamino)-1-(2H-pyrrol-2-yl)pyrazole-4-carboxylic acid has a molecular weight of 206.21 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-1-(2H-pyrrol-2-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 137450346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).