5-[[(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid

C12H12N6O2 — CID 166272427

IUPAC5-[[(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid
SMILESCc1cnn2c(NCc3cc(C(=O)O)n[nH]3)ccnc12
InChIInChI=1S/C12H12N6O2/c1-7-5-15-18-10(2-3-13-11(7)18)14-6-8-4-9(12(19)20)17-16-8/h2-5,14H,6H2,1H3,(H,16,17)(H,19,20)
InChIKeyXNMXRGVOTQPMKE-UHFFFAOYSA-N
MW272.27 g/mol
LogP1.07
Rot. Bonds4

About 5-[[(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid

5-[[(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid (PubChem CID 166272427) has the molecular formula C12H12N6O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is 5-[[(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid
PubChem CID166272427
Molecular FormulaC12H12N6O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name5-[[(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid
SMILESCc1cnn2c(NCc3cc(C(=O)O)n[nH]3)ccnc12
InChIInChI=1S/C12H12N6O2/c1-7-5-15-18-10(2-3-13-11(7)18)14-6-8-4-9(12(19)20)17-16-8/h2-5,14H,6H2,1H3,(H,16,17)(H,19,20)
InChIKeyXNMXRGVOTQPMKE-UHFFFAOYSA-N
XLogP1.07
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-[[(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid (CID 166272427) is 5-[[(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[[(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-[[(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid is Cc1cnn2c(NCc3cc(C(=O)O)n[nH]3)ccnc12.
What is the InChIKey of 5-[[(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid?
The InChIKey is XNMXRGVOTQPMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2/c1-7-5-15-18-10(2-3-13-11(7)18)14-6-8-4-9(12(19)20)17-16-8/h2-5,14H,6H2,1H3,(H,16,17)(H,19,20).
What are the key properties of 5-[[(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid?
5-[[(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid has a molecular weight of 272.27 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 166272427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).