2-(5-aminopyrimidin-2-yl)-5-methylpyrazole-3-carboxylic acid

C9H9N5O2 — CID 84684437

IUPAC2-(5-aminopyrimidin-2-yl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(-c2ncc(N)cn2)n1
InChIInChI=1S/C9H9N5O2/c1-5-2-7(8(15)16)14(13-5)9-11-3-6(10)4-12-9/h2-4H,10H2,1H3,(H,15,16)
InChIKeyJPGISDBAVVYLPP-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.25
Rot. Bonds2

About 2-(5-aminopyrimidin-2-yl)-5-methylpyrazole-3-carboxylic acid

2-(5-aminopyrimidin-2-yl)-5-methylpyrazole-3-carboxylic acid (PubChem CID 84684437) has the molecular formula C9H9N5O2 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-(5-aminopyrimidin-2-yl)-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-(5-aminopyrimidin-2-yl)-5-methylpyrazole-3-carboxylic acid
PubChem CID84684437
Molecular FormulaC9H9N5O2
Molecular Weight219.20 g/mol
Exact Mass219.08
IUPAC Name2-(5-aminopyrimidin-2-yl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)n(-c2ncc(N)cn2)n1
InChIInChI=1S/C9H9N5O2/c1-5-2-7(8(15)16)14(13-5)9-11-3-6(10)4-12-9/h2-4H,10H2,1H3,(H,15,16)
InChIKeyJPGISDBAVVYLPP-UHFFFAOYSA-N
XLogP0.25
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methane;methyl 5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxylate;5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxylic acid
CID 167620012
2-(4-bromophenyl)-5-methylpyrazole-3-carboxylic acid
CID 2769597
2-(3-chlorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 75355715
2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylic acid
CID 79015205
lithium;ethyl 5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylate;methane;5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylic acid;hydroxide;hydrate
CID 167621727
3-bromo-1-pyrimidin-2-ylpyrazole-5-carboxylic acid
CID 167452020
5-methyl-2-(2-methylprop-2-enyl)pyrazole-3-carboxylic acid
CID 82280773
2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid
CID 10846907
2-[4-[(ethoxycarbonylamino)methyl]phenyl]-5-methylpyrazole-3-carboxylic acid
CID 134396852
2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 84719956
5-methyl-2-(1-methyl-2H-pyrimidin-2-yl)pyrazole-3-carboxylic acid
CID 142317008
3-amino-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 84719834

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminopyrimidin-2-yl)-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 2-(5-aminopyrimidin-2-yl)-5-methylpyrazole-3-carboxylic acid (CID 84684437) is 2-(5-aminopyrimidin-2-yl)-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 2-(5-aminopyrimidin-2-yl)-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 2-(5-aminopyrimidin-2-yl)-5-methylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)n(-c2ncc(N)cn2)n1.
What is the InChIKey of 2-(5-aminopyrimidin-2-yl)-5-methylpyrazole-3-carboxylic acid?
The InChIKey is JPGISDBAVVYLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O2/c1-5-2-7(8(15)16)14(13-5)9-11-3-6(10)4-12-9/h2-4H,10H2,1H3,(H,15,16).
What are the key properties of 2-(5-aminopyrimidin-2-yl)-5-methylpyrazole-3-carboxylic acid?
2-(5-aminopyrimidin-2-yl)-5-methylpyrazole-3-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminopyrimidin-2-yl)-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 84684437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).