1-[4-(2-tert-butyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl)piperazin-1-yl]ethanone

C23H27N5O2 — CID 46079833

IUPAC1-[4-(2-tert-butyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(-c3ccccc3)nc3cc(C(C)(C)C)nn23)CC1
InChIInChI=1S/C23H27N5O2/c1-16(29)26-10-12-27(13-11-26)22(30)19-14-18(17-8-6-5-7-9-17)24-21-15-20(23(2,3)4)25-28(19)21/h5-9,14-15H,10-13H2,1-4H3
InChIKeyDHBMTEYYRBATAE-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.00
Rot. Bonds2

About 1-[4-(2-tert-butyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl)piperazin-1-yl]ethanone

1-[4-(2-tert-butyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl)piperazin-1-yl]ethanone (PubChem CID 46079833) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[4-(2-tert-butyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-tert-butyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl)piperazin-1-yl]ethanone
PubChem CID46079833
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-[4-(2-tert-butyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(-c3ccccc3)nc3cc(C(C)(C)C)nn23)CC1
InChIInChI=1S/C23H27N5O2/c1-16(29)26-10-12-27(13-11-26)22(30)19-14-18(17-8-6-5-7-9-17)24-21-15-20(23(2,3)4)25-28(19)21/h5-9,14-15H,10-13H2,1-4H3
InChIKeyDHBMTEYYRBATAE-UHFFFAOYSA-N
XLogP3.00
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzylpiperazin-1-yl)-[2-tert-butyl-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]methanone
CID 46079983
[2-tert-butyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 46079869
2-tert-butyl-N,N-diethyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877392
[2-tert-butyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 42877466
[2-tert-butyl-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 46079997
[2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 46079805
5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
CID 19916307
[4-(2-chlorophenyl)piperazin-1-yl]-[5-(4-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone
CID 42877550
(2,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 46079190
azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 744096
(4-benzylpiperazin-1-yl)-[5-(2-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]methanone
CID 42877585
N-benzyl-2-tert-butyl-5-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 118175250

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-tert-butyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-tert-butyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl)piperazin-1-yl]ethanone (CID 46079833) is 1-[4-(2-tert-butyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-tert-butyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-tert-butyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc(-c3ccccc3)nc3cc(C(C)(C)C)nn23)CC1.
What is the InChIKey of 1-[4-(2-tert-butyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is DHBMTEYYRBATAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-16(29)26-10-12-27(13-11-26)22(30)19-14-18(17-8-6-5-7-9-17)24-21-15-20(23(2,3)4)25-28(19)21/h5-9,14-15H,10-13H2,1-4H3.
What are the key properties of 1-[4-(2-tert-butyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl)piperazin-1-yl]ethanone?
1-[4-(2-tert-butyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 405.50 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-tert-butyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 46079833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).