(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

C21H24N6O — CID 120997013

IUPAC(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cnn2c(-c3ccccc3)ccnc12)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C21H24N6O/c28-21(26-11-7-17(15-26)25-12-9-22-10-13-25)18-14-24-27-19(6-8-23-20(18)27)16-4-2-1-3-5-16/h1-6,8,14,17,22H,7,9-13,15H2
InChIKeyLXUBKGOAWPHQFV-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.52
Rot. Bonds3

About (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone

(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (PubChem CID 120997013) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
PubChem CID120997013
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1cnn2c(-c3ccccc3)ccnc12)N1CCC(N2CCNCC2)C1
InChIInChI=1S/C21H24N6O/c28-21(26-11-7-17(15-26)25-12-9-22-10-13-25)18-14-24-27-19(6-8-23-20(18)27)16-4-2-1-3-5-16/h1-6,8,14,17,22H,7,9-13,15H2
InChIKeyLXUBKGOAWPHQFV-UHFFFAOYSA-N
XLogP1.52
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone with MolForge

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Related Compounds

(4-methylpiperidin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 24716873
(3-hydroxypiperidin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 110900762
(5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995115
(4-benzylpiperidin-1-yl)-[7-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46074606
[4-(2-fluorophenyl)piperazin-1-yl]-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 46074581
ethyl (3S)-1-[7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidine-3-carboxylate
CID 93003362
(2-chloro-5-phenylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997706
(2S)-1-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-2-carboxamide
CID 97082981
(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 55791893
(4-benzylpiperidin-1-yl)-[7-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46074651
(2-bromophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995656
(2-phenyltriazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995171

Frequently Asked Questions

What is the IUPAC name of (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone (CID 120997013) is (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is O=C(c1cnn2c(-c3ccccc3)ccnc12)N1CCC(N2CCNCC2)C1.
What is the InChIKey of (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
The InChIKey is LXUBKGOAWPHQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c28-21(26-11-7-17(15-26)25-12-9-22-10-13-25)18-14-24-27-19(6-8-23-20(18)27)16-4-2-1-3-5-16/h1-6,8,14,17,22H,7,9-13,15H2.
What are the key properties of (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone?
(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone has a molecular weight of 376.46 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 120997013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).