1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one

C17H25N5O — CID 56907344

IUPAC1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one
SMILESCCCCN1CCN(c2cc(CCC)nc3ccnn23)CC1=O
InChIInChI=1S/C17H25N5O/c1-3-5-9-20-10-11-21(13-17(20)23)16-12-14(6-4-2)19-15-7-8-18-22(15)16/h7-8,12H,3-6,9-11,13H2,1-2H3
InChIKeyPXJPTMUJJAGONP-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.13
Rot. Bonds6

About 1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one

1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one (PubChem CID 56907344) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one.

Molecular Properties

Compound Name1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one
PubChem CID56907344
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one
SMILESCCCCN1CCN(c2cc(CCC)nc3ccnn23)CC1=O
InChIInChI=1S/C17H25N5O/c1-3-5-9-20-10-11-21(13-17(20)23)16-12-14(6-4-2)19-15-7-8-18-22(15)16/h7-8,12H,3-6,9-11,13H2,1-2H3
InChIKeyPXJPTMUJJAGONP-UHFFFAOYSA-N
XLogP2.13
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-Fluorophenyl)piperazin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 2528622
cyclopropyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 162648308
5-Cyclopropyl-7-(difluoromethyl)-3-[(4-methyl-1-piperazinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 2980648
2-[(4-Phenyl-1-piperazinyl)carbonyl][1,2,4]triazolo[1,5-a]pyrimidine
CID 821809
5-Methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 12366048
1-Ethyl-4-[7-(propan-2-YL)pyrazolo[1,5-A]pyrimidine-5-carbonyl]piperazine
CID 53040843
1-(Propan-2-YL)-4-[7-(propan-2-YL)pyrazolo[1,5-A]pyrimidine-5-carbonyl]piperazine
CID 53040893
(7-Isopropylpyrazolo[1,5-a]pyrimidin-5-yl)(piperidino)methanone
CID 53040897
1-[3-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperidine-4-carboxamide
CID 56814639
3-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 56814687
1-(4-Acetyl-1,4-diazepan-1-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 56816618
1-(4-Cyclopropylpiperazin-1-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 56820696

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one?
The IUPAC name of 1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one (CID 56907344) is 1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one.
What is the SMILES notation for 1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one?
The canonical SMILES for 1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one is CCCCN1CCN(c2cc(CCC)nc3ccnn23)CC1=O.
What is the InChIKey of 1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one?
The InChIKey is PXJPTMUJJAGONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-3-5-9-20-10-11-21(13-17(20)23)16-12-14(6-4-2)19-15-7-8-18-22(15)16/h7-8,12H,3-6,9-11,13H2,1-2H3.
What are the key properties of 1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one?
1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one has a molecular weight of 315.42 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-one is sourced from PubChem (CID 56907344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).