Q0H

C₁₅H₁₀F₂N₆ — CID 155907509

About Q0H

Q0H (PubChem CID 155907509) has the molecular formula C₁₅H₁₀F₂N₆ and a molecular weight of 312.28 g/mol. Its IUPAC name is 4-amino-6-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile.

Molecular Properties

• Compound Name: Q0H
• PubChem CID: 155907509
• Molecular Formula: C₁₅H₁₀F₂N₆
• Molecular Weight: 312.28 g/mol
• Exact Mass: 312.09
• IUPAC Name: 4-amino-6-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
• SMILES: N#Cc1c(N)ncnc1-c1cnn(Cc2ccc(F)c(F)c2)c1
• InChI: InChI=1S/C15H10F2N6/c16-12-2-1-9(3-13(12)17)6-23-7-10(5-22-23)14-11(4-18)15(19)21-8-20-14/h1-3,5,7-8H,6H2,(H2,19,20,21)
• InChIKey: XIBXZPKIDAMNCF-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 93.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.28
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of Q0H?

The IUPAC name of Q0H (CID 155907509) is 4-amino-6-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile.

What is the SMILES notation for Q0H?

The canonical SMILES for Q0H is N#Cc1c(N)ncnc1-c1cnn(Cc2ccc(F)c(F)c2)c1.

What is the InChIKey of Q0H?

The InChIKey is XIBXZPKIDAMNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N6/c16-12-2-1-9(3-13(12)17)6-23-7-10(5-22-23)14-11(4-18)15(19)21-8-20-14/h1-3,5,7-8H,6H2,(H2,19,20,21).

What are the key properties of Q0H?

Q0H has a molecular weight of 312.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Q0H is sourced from PubChem (CID 155907509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155907509 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.