2-(2-fluorophenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-amine

C12H10FN5 — CID 127046301

IUPAC2-(2-fluorophenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCc1nc(N)c2nn(-c3ccccc3F)cc2n1
InChIInChI=1S/C12H10FN5/c1-7-15-9-6-18(17-11(9)12(14)16-7)10-5-3-2-4-8(10)13/h2-6H,1H3,(H2,14,15,16)
InChIKeyYTUFVFWVQMBKRQ-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.85
Rot. Bonds1

About 2-(2-fluorophenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-amine

2-(2-fluorophenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 127046301) has the molecular formula C12H10FN5 and a molecular weight of 243.25 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID127046301
Molecular FormulaC12H10FN5
Molecular Weight243.25 g/mol
Exact Mass243.09
IUPAC Name2-(2-fluorophenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCc1nc(N)c2nn(-c3ccccc3F)cc2n1
InChIInChI=1S/C12H10FN5/c1-7-15-9-6-18(17-11(9)12(14)16-7)10-5-3-2-4-8(10)13/h2-6H,1H3,(H2,14,15,16)
InChIKeyYTUFVFWVQMBKRQ-UHFFFAOYSA-N
XLogP1.85
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 2-(2-fluorophenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-amine (CID 127046301) is 2-(2-fluorophenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-(2-fluorophenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-amine is Cc1nc(N)c2nn(-c3ccccc3F)cc2n1.
What is the InChIKey of 2-(2-fluorophenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is YTUFVFWVQMBKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5/c1-7-15-9-6-18(17-11(9)12(14)16-7)10-5-3-2-4-8(10)13/h2-6H,1H3,(H2,14,15,16).
What are the key properties of 2-(2-fluorophenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-amine?
2-(2-fluorophenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 243.25 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-methylpyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 127046301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).