1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;pentan-1-ol;propylcyclohexane

C24H41N3O2 — CID 142613049

IUPAC1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;pentan-1-ol;propylcyclohexane
SMILESCC(=O)c1cnn2c(C)cc(C)nc12.CCCC1CCCCC1.CCCCCO
InChIInChI=1S/C10H11N3O.C9H18.C5H12O/c1-6-4-7(2)13-10(12-6)9(5-11-13)8(3)14;1-2-6-9-7-4-3-5-8-9;1-2-3-4-5-6/h4-5H,1-3H3;9H,2-8H2,1H3;6H,2-5H2,1H3
InChIKeySFCZWHUNNXHTFB-UHFFFAOYSA-N
MW403.61 g/mol
LogP6.08
Rot. Bonds6

About 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;pentan-1-ol;propylcyclohexane

1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;pentan-1-ol;propylcyclohexane (PubChem CID 142613049) has the molecular formula C24H41N3O2 and a molecular weight of 403.61 g/mol. Its IUPAC name is 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;pentan-1-ol;propylcyclohexane.

Molecular Properties

Compound Name1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;pentan-1-ol;propylcyclohexane
PubChem CID142613049
Molecular FormulaC24H41N3O2
Molecular Weight403.61 g/mol
Exact Mass403.32
IUPAC Name1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;pentan-1-ol;propylcyclohexane
SMILESCC(=O)c1cnn2c(C)cc(C)nc12.CCCC1CCCCC1.CCCCCO
InChIInChI=1S/C10H11N3O.C9H18.C5H12O/c1-6-4-7(2)13-10(12-6)9(5-11-13)8(3)14;1-2-6-9-7-4-3-5-8-9;1-2-3-4-5-6/h4-5H,1-3H3;9H,2-8H2,1H3;6H,2-5H2,1H3
InChIKeySFCZWHUNNXHTFB-UHFFFAOYSA-N
XLogP6.08
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.61
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;pentan-1-ol;propylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)prop-1-en-1-ol;pentan-1-ol;propylcyclohexane
CID 142613047
4-cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol
CID 142613045
cyclohexanecarboxylic acid;5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145182096
5,7-dimethyl-N-(4-pentoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121327325
2-[cyclopropyl-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid
CID 60826894
N-[(1R,2R)-2-aminocyclohexyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 93451747
N-(4-hydroxy-2,2-dimethylbutyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 103825011
tert-butyl 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 79496302
N-[(3S,4R)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 133120307
N-[(2R)-butan-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097804
(3,5-dimethylpiperidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 42952771
N-benzyl-N-cyclopropyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 31844923

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;pentan-1-ol;propylcyclohexane?
The IUPAC name of 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;pentan-1-ol;propylcyclohexane (CID 142613049) is 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;pentan-1-ol;propylcyclohexane.
What is the SMILES notation for 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;pentan-1-ol;propylcyclohexane?
The canonical SMILES for 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;pentan-1-ol;propylcyclohexane is CC(=O)c1cnn2c(C)cc(C)nc12.CCCC1CCCCC1.CCCCCO.
What is the InChIKey of 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;pentan-1-ol;propylcyclohexane?
The InChIKey is SFCZWHUNNXHTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O.C9H18.C5H12O/c1-6-4-7(2)13-10(12-6)9(5-11-13)8(3)14;1-2-6-9-7-4-3-5-8-9;1-2-3-4-5-6/h4-5H,1-3H3;9H,2-8H2,1H3;6H,2-5H2,1H3.
What are the key properties of 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;pentan-1-ol;propylcyclohexane?
1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;pentan-1-ol;propylcyclohexane has a molecular weight of 403.61 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone;pentan-1-ol;propylcyclohexane is sourced from PubChem (CID 142613049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).