1-methyl-3-pyrimidin-5-ylpyrazol-5-amine

C8H9N5 — CID 102921950

IUPAC1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
SMILESCn1nc(-c2cncnc2)cc1N
InChIInChI=1S/C8H9N5/c1-13-8(9)2-7(12-13)6-3-10-5-11-4-6/h2-5H,9H2,1H3
InChIKeyZOEXHRGWKOHONL-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.46
Rot. Bonds1

About 1-methyl-3-pyrimidin-5-ylpyrazol-5-amine

1-methyl-3-pyrimidin-5-ylpyrazol-5-amine (PubChem CID 102921950) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-methyl-3-pyrimidin-5-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
PubChem CID102921950
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
SMILESCn1nc(-c2cncnc2)cc1N
InChIInChI=1S/C8H9N5/c1-13-8(9)2-7(12-13)6-3-10-5-11-4-6/h2-5H,9H2,1H3
InChIKeyZOEXHRGWKOHONL-UHFFFAOYSA-N
XLogP0.46
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyrimidin-5-ylpyrazol-5-amine?
The IUPAC name of 1-methyl-3-pyrimidin-5-ylpyrazol-5-amine (CID 102921950) is 1-methyl-3-pyrimidin-5-ylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-pyrimidin-5-ylpyrazol-5-amine?
The canonical SMILES for 1-methyl-3-pyrimidin-5-ylpyrazol-5-amine is Cn1nc(-c2cncnc2)cc1N.
What is the InChIKey of 1-methyl-3-pyrimidin-5-ylpyrazol-5-amine?
The InChIKey is ZOEXHRGWKOHONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-13-8(9)2-7(12-13)6-3-10-5-11-4-6/h2-5H,9H2,1H3.
What are the key properties of 1-methyl-3-pyrimidin-5-ylpyrazol-5-amine?
1-methyl-3-pyrimidin-5-ylpyrazol-5-amine has a molecular weight of 175.19 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyrimidin-5-ylpyrazol-5-amine is sourced from PubChem (CID 102921950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).