4-amino-1-pyrimidin-2-ylpyrazole-3-carboxylic acid

C8H7N5O2 — CID 107346027

IUPAC4-amino-1-pyrimidin-2-ylpyrazole-3-carboxylic acid
SMILESNc1cn(-c2ncccn2)nc1C(=O)O
InChIInChI=1S/C8H7N5O2/c9-5-4-13(12-6(5)7(14)15)8-10-2-1-3-11-8/h1-4H,9H2,(H,14,15)
InChIKeyGDGVQXYJIOEQQP-UHFFFAOYSA-N
MW205.18 g/mol
LogP-0.06
Rot. Bonds2

About 4-amino-1-pyrimidin-2-ylpyrazole-3-carboxylic acid

4-amino-1-pyrimidin-2-ylpyrazole-3-carboxylic acid (PubChem CID 107346027) has the molecular formula C8H7N5O2 and a molecular weight of 205.18 g/mol. Its IUPAC name is 4-amino-1-pyrimidin-2-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-pyrimidin-2-ylpyrazole-3-carboxylic acid
PubChem CID107346027
Molecular FormulaC8H7N5O2
Molecular Weight205.18 g/mol
Exact Mass205.06
IUPAC Name4-amino-1-pyrimidin-2-ylpyrazole-3-carboxylic acid
SMILESNc1cn(-c2ncccn2)nc1C(=O)O
InChIInChI=1S/C8H7N5O2/c9-5-4-13(12-6(5)7(14)15)8-10-2-1-3-11-8/h1-4H,9H2,(H,14,15)
InChIKeyGDGVQXYJIOEQQP-UHFFFAOYSA-N
XLogP-0.06
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-pyrimidin-4-ylpyrazole-3-carboxylic acid
CID 107346001
4-amino-1-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pyrazole-3-carboxylic acid
CID 107346082
4-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid
CID 107345897
4-amino-1-thieno[3,2-d]pyrimidin-4-ylpyrazole-3-carboxylic acid
CID 107345995
4-amino-1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)pyrazole-3-carboxylic acid
CID 107346080
4-amino-1-(6-methoxy-2-methylpyrimidin-4-yl)pyrazole-3-carboxylic acid
CID 107346079
1-pyrimidin-2-ylimidazole-2-carboxylic acid
CID 130640830
4-amino-1-(2-cyano-3-pyridinyl)pyrazole-3-carboxamide
CID 107346407
3-(4-fluorophenyl)-1-pyrimidin-2-ylpyrazol-4-amine
CID 83222410
4-amino-1-(quinolin-6-ylmethyl)pyrazole-3-carboxylic acid
CID 107344350
ethyl 4-amino-1-(4-methoxypyrimidin-2-yl)pyrazole-3-carboxylate
CID 107346852
4-amino-1-(2-fluoroethyl)pyrazole-3-carboxylic acid
CID 97182097

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-pyrimidin-2-ylpyrazole-3-carboxylic acid?
The IUPAC name of 4-amino-1-pyrimidin-2-ylpyrazole-3-carboxylic acid (CID 107346027) is 4-amino-1-pyrimidin-2-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-pyrimidin-2-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-amino-1-pyrimidin-2-ylpyrazole-3-carboxylic acid is Nc1cn(-c2ncccn2)nc1C(=O)O.
What is the InChIKey of 4-amino-1-pyrimidin-2-ylpyrazole-3-carboxylic acid?
The InChIKey is GDGVQXYJIOEQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O2/c9-5-4-13(12-6(5)7(14)15)8-10-2-1-3-11-8/h1-4H,9H2,(H,14,15).
What are the key properties of 4-amino-1-pyrimidin-2-ylpyrazole-3-carboxylic acid?
4-amino-1-pyrimidin-2-ylpyrazole-3-carboxylic acid has a molecular weight of 205.18 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-pyrimidin-2-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 107346027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).