5-methyl-7-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C11H11N5O2 — CID 162686028

IUPAC5-methyl-7-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCC1=NC2=CC(C(=O)O)NN2C(c2cn[nH]c2)=C1
InChIInChI=1S/C11H11N5O2/c1-6-2-9(7-4-12-13-5-7)16-10(14-6)3-8(15-16)11(17)18/h2-5,8,15H,1H3,(H,12,13)(H,17,18)
InChIKeyMXLQOAJCKREAQV-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.34
Rot. Bonds2

About 5-methyl-7-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid

5-methyl-7-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 162686028) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 5-methyl-7-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-7-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID162686028
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name5-methyl-7-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCC1=NC2=CC(C(=O)O)NN2C(c2cn[nH]c2)=C1
InChIInChI=1S/C11H11N5O2/c1-6-2-9(7-4-12-13-5-7)16-10(14-6)3-8(15-16)11(17)18/h2-5,8,15H,1H3,(H,12,13)(H,17,18)
InChIKeyMXLQOAJCKREAQV-UHFFFAOYSA-N
XLogP0.34
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-methyl-7-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 162686028) is 5-methyl-7-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-methyl-7-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-methyl-7-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid is CC1=NC2=CC(C(=O)O)NN2C(c2cn[nH]c2)=C1.
What is the InChIKey of 5-methyl-7-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is MXLQOAJCKREAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-6-2-9(7-4-12-13-5-7)16-10(14-6)3-8(15-16)11(17)18/h2-5,8,15H,1H3,(H,12,13)(H,17,18).
What are the key properties of 5-methyl-7-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5-methyl-7-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 245.24 g/mol, XLogP of 0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(1H-pyrazol-4-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 162686028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).