N-cyclopropyl-4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]pyrimidin-2-amine

C19H20FN5 — CID 141095293

IUPACN-cyclopropyl-4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]pyrimidin-2-amine
SMILESFc1ccc(C2=C(c3ccnc(NC4CC4)n3)N3CCCN3C2)cc1
InChIInChI=1S/C19H20FN5/c20-14-4-2-13(3-5-14)16-12-24-10-1-11-25(24)18(16)17-8-9-21-19(23-17)22-15-6-7-15/h2-5,8-9,15H,1,6-7,10-12H2,(H,21,22,23)
InChIKeyRLLZYLGXIUIZPL-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.99
Rot. Bonds4

About N-cyclopropyl-4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]pyrimidin-2-amine

N-cyclopropyl-4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]pyrimidin-2-amine (PubChem CID 141095293) has the molecular formula C19H20FN5 and a molecular weight of 337.40 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]pyrimidin-2-amine
PubChem CID141095293
Molecular FormulaC19H20FN5
Molecular Weight337.40 g/mol
Exact Mass337.17
IUPAC NameN-cyclopropyl-4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]pyrimidin-2-amine
SMILESFc1ccc(C2=C(c3ccnc(NC4CC4)n3)N3CCCN3C2)cc1
InChIInChI=1S/C19H20FN5/c20-14-4-2-13(3-5-14)16-12-24-10-1-11-25(24)18(16)17-8-9-21-19(23-17)22-15-6-7-15/h2-5,8-9,15H,1,6-7,10-12H2,(H,21,22,23)
InChIKeyRLLZYLGXIUIZPL-UHFFFAOYSA-N
XLogP2.99
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]pyrimidin-2-amine (CID 141095293) is N-cyclopropyl-4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]pyrimidin-2-amine is Fc1ccc(C2=C(c3ccnc(NC4CC4)n3)N3CCCN3C2)cc1.
What is the InChIKey of N-cyclopropyl-4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]pyrimidin-2-amine?
The InChIKey is RLLZYLGXIUIZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5/c20-14-4-2-13(3-5-14)16-12-24-10-1-11-25(24)18(16)17-8-9-21-19(23-17)22-15-6-7-15/h2-5,8-9,15H,1,6-7,10-12H2,(H,21,22,23).
What are the key properties of N-cyclopropyl-4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]pyrimidin-2-amine?
N-cyclopropyl-4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]pyrimidin-2-amine has a molecular weight of 337.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 141095293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).