7-(4-ethylpiperazin-1-yl)-5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine

C22H27N5 — CID 4904530

IUPAC7-(4-ethylpiperazin-1-yl)-5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine
SMILESC=CCc1c(C)nc2c(-c3ccccc3)cnn2c1N1CCN(CC)CC1
InChIInChI=1S/C22H27N5/c1-4-9-19-17(3)24-21-20(18-10-7-6-8-11-18)16-23-27(21)22(19)26-14-12-25(5-2)13-15-26/h4,6-8,10-11,16H,1,5,9,12-15H2,2-3H3
InChIKeyOQGFHIZWRVDRES-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.58
Rot. Bonds5

About 7-(4-ethylpiperazin-1-yl)-5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine

7-(4-ethylpiperazin-1-yl)-5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine (PubChem CID 4904530) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 7-(4-ethylpiperazin-1-yl)-5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-ethylpiperazin-1-yl)-5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine
PubChem CID4904530
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name7-(4-ethylpiperazin-1-yl)-5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine
SMILESC=CCc1c(C)nc2c(-c3ccccc3)cnn2c1N1CCN(CC)CC1
InChIInChI=1S/C22H27N5/c1-4-9-19-17(3)24-21-20(18-10-7-6-8-11-18)16-23-27(21)22(19)26-14-12-25(5-2)13-15-26/h4,6-8,10-11,16H,1,5,9,12-15H2,2-3H3
InChIKeyOQGFHIZWRVDRES-UHFFFAOYSA-N
XLogP3.58
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylpiperazin-1-yl)-5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-ethylpiperazin-1-yl)-5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine (CID 4904530) is 7-(4-ethylpiperazin-1-yl)-5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-ethylpiperazin-1-yl)-5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-ethylpiperazin-1-yl)-5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine is C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1N1CCN(CC)CC1.
What is the InChIKey of 7-(4-ethylpiperazin-1-yl)-5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine?
The InChIKey is OQGFHIZWRVDRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-4-9-19-17(3)24-21-20(18-10-7-6-8-11-18)16-23-27(21)22(19)26-14-12-25(5-2)13-15-26/h4,6-8,10-11,16H,1,5,9,12-15H2,2-3H3.
What are the key properties of 7-(4-ethylpiperazin-1-yl)-5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine?
7-(4-ethylpiperazin-1-yl)-5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine has a molecular weight of 361.49 g/mol, XLogP of 3.58, 5 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)-5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4904530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).