5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

C12H10FN5 — CID 123445272

IUPAC5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3cccc(F)c23)n[nH]1
InChIInChI=1S/C12H10FN5/c1-7-5-10(18-17-7)16-12-11-8(13)3-2-4-9(11)14-6-15-12/h2-6H,1H3,(H2,14,15,16,17,18)
InChIKeyOLJDUBOIOWGQAH-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.54
Rot. Bonds2

About 5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine

5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (PubChem CID 123445272) has the molecular formula C12H10FN5 and a molecular weight of 243.25 g/mol. Its IUPAC name is 5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
PubChem CID123445272
Molecular FormulaC12H10FN5
Molecular Weight243.25 g/mol
Exact Mass243.09
IUPAC Name5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
SMILESCc1cc(Nc2ncnc3cccc(F)c23)n[nH]1
InChIInChI=1S/C12H10FN5/c1-7-5-10(18-17-7)16-12-11-8(13)3-2-4-9(11)14-6-15-12/h2-6H,1H3,(H2,14,15,16,17,18)
InChIKeyOLJDUBOIOWGQAH-UHFFFAOYSA-N
XLogP2.54
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The IUPAC name of 5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine (CID 123445272) is 5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is Cc1cc(Nc2ncnc3cccc(F)c23)n[nH]1.
What is the InChIKey of 5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
The InChIKey is OLJDUBOIOWGQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5/c1-7-5-10(18-17-7)16-12-11-8(13)3-2-4-9(11)14-6-15-12/h2-6H,1H3,(H2,14,15,16,17,18).
What are the key properties of 5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine?
5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine has a molecular weight of 243.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 123445272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).