cyclohexyl-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone

C21H31N5O — CID 56890932

IUPACcyclohexyl-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESCCc1cc(N2CCN(C(=O)C3CCCCC3)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C21H31N5O/c1-4-18-14-19(26-20(22-18)15(2)16(3)23-26)24-10-12-25(13-11-24)21(27)17-8-6-5-7-9-17/h14,17H,4-13H2,1-3H3
InChIKeyDBWNWMLEFZJVTP-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.14
Rot. Bonds3

About cyclohexyl-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone

cyclohexyl-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone (PubChem CID 56890932) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is cyclohexyl-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
PubChem CID56890932
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Namecyclohexyl-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESCCc1cc(N2CCN(C(=O)C3CCCCC3)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C21H31N5O/c1-4-18-14-19(26-20(22-18)15(2)16(3)23-26)24-10-12-25(13-11-24)21(27)17-8-6-5-7-9-17/h14,17H,4-13H2,1-3H3
InChIKeyDBWNWMLEFZJVTP-UHFFFAOYSA-N
XLogP3.14
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclohexyl-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-ol
CID 70757938
cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 133468891
N-cyclohexyl-3-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanamide
CID 70717031
cyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone
CID 113075979
cyclopentyl-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 814901
cyclohexyl-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53033549
cyclopentyl-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50944669
cyclohexyl-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 56920979
cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755282
cyclohexyl-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 110710911
cyclopentyl-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133332977
ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate
CID 46094525

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone (CID 56890932) is cyclohexyl-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone is CCc1cc(N2CCN(C(=O)C3CCCCC3)CC2)n2nc(C)c(C)c2n1.
What is the InChIKey of cyclohexyl-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The InChIKey is DBWNWMLEFZJVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-4-18-14-19(26-20(22-18)15(2)16(3)23-26)24-10-12-25(13-11-24)21(27)17-8-6-5-7-9-17/h14,17H,4-13H2,1-3H3.
What are the key properties of cyclohexyl-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
cyclohexyl-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone has a molecular weight of 369.51 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 56890932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).