5-methyl-2-pyrimidin-2-ylpyrazol-3-amine

C8H9N5 — CID 43420019

IUPAC5-methyl-2-pyrimidin-2-ylpyrazol-3-amine
SMILESCc1cc(N)n(-c2ncccn2)n1
InChIInChI=1S/C8H9N5/c1-6-5-7(9)13(12-6)8-10-3-2-4-11-8/h2-5H,9H2,1H3
InChIKeyNBTODGHAMDDPDX-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.55
Rot. Bonds1

About 5-methyl-2-pyrimidin-2-ylpyrazol-3-amine

5-methyl-2-pyrimidin-2-ylpyrazol-3-amine (PubChem CID 43420019) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-methyl-2-pyrimidin-2-ylpyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-pyrimidin-2-ylpyrazol-3-amine
PubChem CID43420019
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name5-methyl-2-pyrimidin-2-ylpyrazol-3-amine
SMILESCc1cc(N)n(-c2ncccn2)n1
InChIInChI=1S/C8H9N5/c1-6-5-7(9)13(12-6)8-10-3-2-4-11-8/h2-5H,9H2,1H3
InChIKeyNBTODGHAMDDPDX-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyrimidin-2-ylpyrazol-3-amine?
The IUPAC name of 5-methyl-2-pyrimidin-2-ylpyrazol-3-amine (CID 43420019) is 5-methyl-2-pyrimidin-2-ylpyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-pyrimidin-2-ylpyrazol-3-amine?
The canonical SMILES for 5-methyl-2-pyrimidin-2-ylpyrazol-3-amine is Cc1cc(N)n(-c2ncccn2)n1.
What is the InChIKey of 5-methyl-2-pyrimidin-2-ylpyrazol-3-amine?
The InChIKey is NBTODGHAMDDPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-6-5-7(9)13(12-6)8-10-3-2-4-11-8/h2-5H,9H2,1H3.
What are the key properties of 5-methyl-2-pyrimidin-2-ylpyrazol-3-amine?
5-methyl-2-pyrimidin-2-ylpyrazol-3-amine has a molecular weight of 175.19 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyrimidin-2-ylpyrazol-3-amine is sourced from PubChem (CID 43420019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).