4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrimidin-2-amine

C17H17FN6 — CID 166068461

IUPAC4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrimidin-2-amine
SMILESCN1CCn2nc(-c3ccc(F)cc3)c(-c3ccnc(N)n3)c2C1
InChIInChI=1S/C17H17FN6/c1-23-8-9-24-14(10-23)15(13-6-7-20-17(19)21-13)16(22-24)11-2-4-12(18)5-3-11/h2-7H,8-10H2,1H3,(H2,19,20,21)
InChIKeyOZWWWVMPXOCMHN-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.17
Rot. Bonds2

About 4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrimidin-2-amine

4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrimidin-2-amine (PubChem CID 166068461) has the molecular formula C17H17FN6 and a molecular weight of 324.36 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrimidin-2-amine
PubChem CID166068461
Molecular FormulaC17H17FN6
Molecular Weight324.36 g/mol
Exact Mass324.15
IUPAC Name4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrimidin-2-amine
SMILESCN1CCn2nc(-c3ccc(F)cc3)c(-c3ccnc(N)n3)c2C1
InChIInChI=1S/C17H17FN6/c1-23-8-9-24-14(10-23)15(13-6-7-20-17(19)21-13)16(22-24)11-2-4-12(18)5-3-11/h2-7H,8-10H2,1H3,(H2,19,20,21)
InChIKeyOZWWWVMPXOCMHN-UHFFFAOYSA-N
XLogP2.17
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrimidin-2-amine (CID 166068461) is 4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrimidin-2-amine is CN1CCn2nc(-c3ccc(F)cc3)c(-c3ccnc(N)n3)c2C1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrimidin-2-amine?
The InChIKey is OZWWWVMPXOCMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6/c1-23-8-9-24-14(10-23)15(13-6-7-20-17(19)21-13)16(22-24)11-2-4-12(18)5-3-11/h2-7H,8-10H2,1H3,(H2,19,20,21).
What are the key properties of 4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrimidin-2-amine?
4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrimidin-2-amine has a molecular weight of 324.36 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 166068461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).