5-(1-methylpyrazol-4-yl)pyrimidine

C8H8N4 — CID 58297062

IUPAC5-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2cncnc2)cn1
InChIInChI=1S/C8H8N4/c1-12-5-8(4-11-12)7-2-9-6-10-3-7/h2-6H,1H3
InChIKeyNYQHGBQRYNIWKP-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.88
Rot. Bonds1

About 5-(1-methylpyrazol-4-yl)pyrimidine

5-(1-methylpyrazol-4-yl)pyrimidine (PubChem CID 58297062) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)pyrimidine
PubChem CID58297062
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name5-(1-methylpyrazol-4-yl)pyrimidine
SMILESCn1cc(-c2cncnc2)cn1
InChIInChI=1S/C8H8N4/c1-12-5-8(4-11-12)7-2-9-6-10-3-7/h2-6H,1H3
InChIKeyNYQHGBQRYNIWKP-UHFFFAOYSA-N
XLogP0.88
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)pyrimidine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)pyrimidine (CID 58297062) is 5-(1-methylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)pyrimidine is Cn1cc(-c2cncnc2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)pyrimidine?
The InChIKey is NYQHGBQRYNIWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-12-5-8(4-11-12)7-2-9-6-10-3-7/h2-6H,1H3.
What are the key properties of 5-(1-methylpyrazol-4-yl)pyrimidine?
5-(1-methylpyrazol-4-yl)pyrimidine has a molecular weight of 160.18 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 58297062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).