2-ethyl-5-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine

C18H21N5 — CID 82270574

IUPAC2-ethyl-5-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cc2nc(-c3ccccc3)cc(N3CCNCC3)n2n1
InChIInChI=1S/C18H21N5/c1-2-15-12-17-20-16(14-6-4-3-5-7-14)13-18(23(17)21-15)22-10-8-19-9-11-22/h3-7,12-13,19H,2,8-11H2,1H3
InChIKeyJBBRYLSOTIVRAQ-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.37
Rot. Bonds3

About 2-ethyl-5-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine

2-ethyl-5-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 82270574) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-ethyl-5-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-ethyl-5-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
PubChem CID82270574
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-ethyl-5-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cc2nc(-c3ccccc3)cc(N3CCNCC3)n2n1
InChIInChI=1S/C18H21N5/c1-2-15-12-17-20-16(14-6-4-3-5-7-14)13-18(23(17)21-15)22-10-8-19-9-11-22/h3-7,12-13,19H,2,8-11H2,1H3
InChIKeyJBBRYLSOTIVRAQ-UHFFFAOYSA-N
XLogP2.37
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
CID 82270537
2-methyl-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 170092679
5-ethyl-2-(oxolan-2-yl)-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
CID 82270552
N-[(E)-(3-methylphenyl)methylideneamino]-2-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 89176610
(4R)-1-(2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)azepan-4-ol
CID 95897098
2-ethyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 104617789
2-(4-fluorophenyl)-7-(3-methylpiperidin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 3229995
5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 154842512
2-(benzenesulfonyl)-5-methyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
CID 70002661
[4-[2-(4-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-phenylmethanone
CID 44602404
8-[2-(3-methoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 654068
ethyl 1-[2-(4-fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxylate
CID 3230011

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-ethyl-5-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine (CID 82270574) is 2-ethyl-5-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-ethyl-5-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-ethyl-5-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine is CCc1cc2nc(-c3ccccc3)cc(N3CCNCC3)n2n1.
What is the InChIKey of 2-ethyl-5-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is JBBRYLSOTIVRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-15-12-17-20-16(14-6-4-3-5-7-14)13-18(23(17)21-15)22-10-8-19-9-11-22/h3-7,12-13,19H,2,8-11H2,1H3.
What are the key properties of 2-ethyl-5-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine?
2-ethyl-5-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 307.40 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-phenyl-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82270574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).