7-(4-ethylpiperazin-1-yl)-2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine

C24H24FN5 — CID 1441533

IUPAC7-(4-ethylpiperazin-1-yl)-2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine
SMILESCCN1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(F)c4)nn23)CC1
InChIInChI=1S/C24H24FN5/c1-2-28-11-13-29(14-12-28)24-17-21(18-7-4-3-5-8-18)26-23-16-22(27-30(23)24)19-9-6-10-20(25)15-19/h3-10,15-17H,2,11-14H2,1H3
InChIKeyKNLBJJWWKPSMLJ-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.34
Rot. Bonds4

About 7-(4-ethylpiperazin-1-yl)-2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine

7-(4-ethylpiperazin-1-yl)-2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 1441533) has the molecular formula C24H24FN5 and a molecular weight of 401.49 g/mol. Its IUPAC name is 7-(4-ethylpiperazin-1-yl)-2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-ethylpiperazin-1-yl)-2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID1441533
Molecular FormulaC24H24FN5
Molecular Weight401.49 g/mol
Exact Mass401.20
IUPAC Name7-(4-ethylpiperazin-1-yl)-2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine
SMILESCCN1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(F)c4)nn23)CC1
InChIInChI=1S/C24H24FN5/c1-2-28-11-13-29(14-12-28)24-17-21(18-7-4-3-5-8-18)26-23-16-22(27-30(23)24)19-9-6-10-20(25)15-19/h3-10,15-17H,2,11-14H2,1H3
InChIKeyKNLBJJWWKPSMLJ-UHFFFAOYSA-N
XLogP4.34
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylpiperazin-1-yl)-2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-ethylpiperazin-1-yl)-2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine (CID 1441533) is 7-(4-ethylpiperazin-1-yl)-2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-ethylpiperazin-1-yl)-2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-ethylpiperazin-1-yl)-2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine is CCN1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(F)c4)nn23)CC1.
What is the InChIKey of 7-(4-ethylpiperazin-1-yl)-2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is KNLBJJWWKPSMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5/c1-2-28-11-13-29(14-12-28)24-17-21(18-7-4-3-5-8-18)26-23-16-22(27-30(23)24)19-9-6-10-20(25)15-19/h3-10,15-17H,2,11-14H2,1H3.
What are the key properties of 7-(4-ethylpiperazin-1-yl)-2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine?
7-(4-ethylpiperazin-1-yl)-2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 401.49 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethylpiperazin-1-yl)-2-(3-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1441533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).