3-(1-cyclopropylpyrazol-4-yl)-N-[1-[2-(3,3-difluoropropyl)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine

C23H23F3N6 — CID 155135646

IUPAC3-(1-cyclopropylpyrazol-4-yl)-N-[1-[2-(3,3-difluoropropyl)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(Nc1ccn2ncc(-c3cnn(C4CC4)c3)c2n1)c1cc(F)ccc1CCC(F)F
InChIInChI=1S/C23H23F3N6/c1-14(19-10-17(24)4-2-15(19)3-7-21(25)26)29-22-8-9-31-23(30-22)20(12-28-31)16-11-27-32(13-16)18-5-6-18/h2,4,8-14,18,21H,3,5-7H2,1H3,(H,29,30)
InChIKeyHBSWCONWZXPELJ-UHFFFAOYSA-N
MW440.47 g/mol
LogP5.44
Rot. Bonds8

About 3-(1-cyclopropylpyrazol-4-yl)-N-[1-[2-(3,3-difluoropropyl)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine

3-(1-cyclopropylpyrazol-4-yl)-N-[1-[2-(3,3-difluoropropyl)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 155135646) has the molecular formula C23H23F3N6 and a molecular weight of 440.47 g/mol. Its IUPAC name is 3-(1-cyclopropylpyrazol-4-yl)-N-[1-[2-(3,3-difluoropropyl)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(1-cyclopropylpyrazol-4-yl)-N-[1-[2-(3,3-difluoropropyl)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID155135646
Molecular FormulaC23H23F3N6
Molecular Weight440.47 g/mol
Exact Mass440.19
IUPAC Name3-(1-cyclopropylpyrazol-4-yl)-N-[1-[2-(3,3-difluoropropyl)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(Nc1ccn2ncc(-c3cnn(C4CC4)c3)c2n1)c1cc(F)ccc1CCC(F)F
InChIInChI=1S/C23H23F3N6/c1-14(19-10-17(24)4-2-15(19)3-7-21(25)26)29-22-8-9-31-23(30-22)20(12-28-31)16-11-27-32(13-16)18-5-6-18/h2,4,8-14,18,21H,3,5-7H2,1H3,(H,29,30)
InChIKeyHBSWCONWZXPELJ-UHFFFAOYSA-N
XLogP5.44
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.47
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylpyrazol-4-yl)-N-[1-[2-(3,3-difluoropropyl)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(1-cyclopropylpyrazol-4-yl)-N-[1-[2-(3,3-difluoropropyl)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 155135646) is 3-(1-cyclopropylpyrazol-4-yl)-N-[1-[2-(3,3-difluoropropyl)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(1-cyclopropylpyrazol-4-yl)-N-[1-[2-(3,3-difluoropropyl)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(1-cyclopropylpyrazol-4-yl)-N-[1-[2-(3,3-difluoropropyl)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine is CC(Nc1ccn2ncc(-c3cnn(C4CC4)c3)c2n1)c1cc(F)ccc1CCC(F)F.
What is the InChIKey of 3-(1-cyclopropylpyrazol-4-yl)-N-[1-[2-(3,3-difluoropropyl)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is HBSWCONWZXPELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6/c1-14(19-10-17(24)4-2-15(19)3-7-21(25)26)29-22-8-9-31-23(30-22)20(12-28-31)16-11-27-32(13-16)18-5-6-18/h2,4,8-14,18,21H,3,5-7H2,1H3,(H,29,30).
What are the key properties of 3-(1-cyclopropylpyrazol-4-yl)-N-[1-[2-(3,3-difluoropropyl)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine?
3-(1-cyclopropylpyrazol-4-yl)-N-[1-[2-(3,3-difluoropropyl)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 440.47 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpyrazol-4-yl)-N-[1-[2-(3,3-difluoropropyl)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 155135646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).