1-(4-methylpyrimidin-2-yl)pyrazol-3-amine

C8H9N5 — CID 62958582

IUPAC1-(4-methylpyrimidin-2-yl)pyrazol-3-amine
SMILESCc1ccnc(-n2ccc(N)n2)n1
InChIInChI=1S/C8H9N5/c1-6-2-4-10-8(11-6)13-5-3-7(9)12-13/h2-5H,1H3,(H2,9,12)
InChIKeyRBYUGYRPNKJPIS-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.55
Rot. Bonds1

About 1-(4-methylpyrimidin-2-yl)pyrazol-3-amine

1-(4-methylpyrimidin-2-yl)pyrazol-3-amine (PubChem CID 62958582) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-(4-methylpyrimidin-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(4-methylpyrimidin-2-yl)pyrazol-3-amine
PubChem CID62958582
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name1-(4-methylpyrimidin-2-yl)pyrazol-3-amine
SMILESCc1ccnc(-n2ccc(N)n2)n1
InChIInChI=1S/C8H9N5/c1-6-2-4-10-8(11-6)13-5-3-7(9)12-13/h2-5H,1H3,(H2,9,12)
InChIKeyRBYUGYRPNKJPIS-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 1-(4-methylpyrimidin-2-yl)pyrazol-3-amine?
The IUPAC name of 1-(4-methylpyrimidin-2-yl)pyrazol-3-amine (CID 62958582) is 1-(4-methylpyrimidin-2-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(4-methylpyrimidin-2-yl)pyrazol-3-amine?
The canonical SMILES for 1-(4-methylpyrimidin-2-yl)pyrazol-3-amine is Cc1ccnc(-n2ccc(N)n2)n1.
What is the InChIKey of 1-(4-methylpyrimidin-2-yl)pyrazol-3-amine?
The InChIKey is RBYUGYRPNKJPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-6-2-4-10-8(11-6)13-5-3-7(9)12-13/h2-5H,1H3,(H2,9,12).
What are the key properties of 1-(4-methylpyrimidin-2-yl)pyrazol-3-amine?
1-(4-methylpyrimidin-2-yl)pyrazol-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 1-(4-methylpyrimidin-2-yl)pyrazol-3-amine is sourced from PubChem (CID 62958582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).