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

C19H20FN5 — CID 141095292

IUPAC4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCNc1nccc(C2=C(c3ccc(F)cc3)CN3CCCN23)n1
InChIInChI=1S/C19H20FN5/c1-2-9-21-19-22-10-8-17(23-19)18-16(13-24-11-3-12-25(18)24)14-4-6-15(20)7-5-14/h2,4-8,10H,1,3,9,11-13H2,(H,21,22,23)
InChIKeyWTZJJUKIZOHQMR-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.02
Rot. Bonds5

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

4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]-N-prop-2-enylpyrimidin-2-amine (PubChem CID 141095292) has the molecular formula C19H20FN5 and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]-N-prop-2-enylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]-N-prop-2-enylpyrimidin-2-amine
PubChem CID141095292
Molecular FormulaC19H20FN5
Molecular Weight337.40 g/mol
Exact Mass337.17
IUPAC Name4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCNc1nccc(C2=C(c3ccc(F)cc3)CN3CCCN23)n1
InChIInChI=1S/C19H20FN5/c1-2-9-21-19-22-10-8-17(23-19)18-16(13-24-11-3-12-25(18)24)14-4-6-15(20)7-5-14/h2,4-8,10H,1,3,9,11-13H2,(H,21,22,23)
InChIKeyWTZJJUKIZOHQMR-UHFFFAOYSA-N
XLogP3.02
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]pyrimidin-2-amine
CID 141095293
4-N-[(4-fluorophenyl)methyl]-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882681
4-(4-methylpiperidin-1-yl)-N-prop-2-enylpyrimidin-2-amine
CID 112882660
2-[4-(4-fluorophenyl)-5-[2-(prop-2-enylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylic acid
CID 22255009
5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-methyl-N-prop-2-enyl-1,3-thiazol-2-amine
CID 10427423
4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine
CID 112882670
4-[5-[2-(4-fluorophenoxy)pyrimidin-4-yl]-6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-2-yl]morpholine
CID 151420535
piperidin-1-yl-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109295917
4-N-cyclohexyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882659
4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidin-2-amine
CID 112882740
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 72875943
(3-methylpiperidin-1-yl)-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109295994

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]-N-prop-2-enylpyrimidin-2-amine?
The IUPAC name of 4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]-N-prop-2-enylpyrimidin-2-amine (CID 141095292) is 4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]-N-prop-2-enylpyrimidin-2-amine.
What is the SMILES notation for 4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]-N-prop-2-enylpyrimidin-2-amine?
The canonical SMILES for 4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]-N-prop-2-enylpyrimidin-2-amine is C=CCNc1nccc(C2=C(c3ccc(F)cc3)CN3CCCN23)n1.
What is the InChIKey of 4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]-N-prop-2-enylpyrimidin-2-amine?
The InChIKey is WTZJJUKIZOHQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5/c1-2-9-21-19-22-10-8-17(23-19)18-16(13-24-11-3-12-25(18)24)14-4-6-15(20)7-5-14/h2,4-8,10H,1,3,9,11-13H2,(H,21,22,23).
What are the key properties of 4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]-N-prop-2-enylpyrimidin-2-amine?
4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]-N-prop-2-enylpyrimidin-2-amine has a molecular weight of 337.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]-N-prop-2-enylpyrimidin-2-amine is sourced from PubChem (CID 141095292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).