7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C13H13N5O2 — CID 4776201

IUPAC7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCCn1ncc(-c2ccnc3cc(C(=O)O)nn23)c1C
InChIInChI=1S/C13H13N5O2/c1-3-17-8(2)9(7-15-17)11-4-5-14-12-6-10(13(19)20)16-18(11)12/h4-7H,3H2,1-2H3,(H,19,20)
InChIKeyRLWZHDCIBUFLMD-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.62
Rot. Bonds3

About 7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 4776201) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID4776201
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCCn1ncc(-c2ccnc3cc(C(=O)O)nn23)c1C
InChIInChI=1S/C13H13N5O2/c1-3-17-8(2)9(7-15-17)11-4-5-14-12-6-10(13(19)20)16-18(11)12/h4-7H,3H2,1-2H3,(H,19,20)
InChIKeyRLWZHDCIBUFLMD-UHFFFAOYSA-N
XLogP1.62
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 4776201) is 7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is CCn1ncc(-c2ccnc3cc(C(=O)O)nn23)c1C.
What is the InChIKey of 7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is RLWZHDCIBUFLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-3-17-8(2)9(7-15-17)11-4-5-14-12-6-10(13(19)20)16-18(11)12/h4-7H,3H2,1-2H3,(H,19,20).
What are the key properties of 7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 271.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 4776201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).