ethane;1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol

C17H23N3O — CID 142866513

IUPACethane;1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol
SMILESC=C(O)c1cnn2c1NC(c1ccccc1)CC2C.CC
InChIInChI=1S/C15H17N3O.C2H6/c1-10-8-14(12-6-4-3-5-7-12)17-15-13(11(2)19)9-16-18(10)15;1-2/h3-7,9-10,14,17,19H,2,8H2,1H3;1-2H3
InChIKeyJQYOBWHMUUPJRY-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.56
Rot. Bonds2

About ethane;1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol

ethane;1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol (PubChem CID 142866513) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is ethane;1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol.

Molecular Properties

Compound Nameethane;1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol
PubChem CID142866513
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Nameethane;1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol
SMILESC=C(O)c1cnn2c1NC(c1ccccc1)CC2C.CC
InChIInChI=1S/C15H17N3O.C2H6/c1-10-8-14(12-6-4-3-5-7-12)17-15-13(11(2)19)9-16-18(10)15;1-2/h3-7,9-10,14,17,19H,2,8H2,1H3;1-2H3
InChIKeyJQYOBWHMUUPJRY-UHFFFAOYSA-N
XLogP4.56
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

5-(4-Fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 2883927
5-Phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 3849689
(5R,7S)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 135567083
5-(P-Tolyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-A]pyrimidine-3-carboxylic acid
CID 3134014
1-phenyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylmethyl)cyclobutan-1-amine
CID 136196636
1-[(2-methylphenyl)methyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylmethyl)piperidin-4-amine
CID 136196750
5-Phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 4767593
N-(propan-2-yl)-N'-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzenecarboximidamide
CID 7131187
N-(2-cyclohexylpyrazol-3-yl)-N'-methylbenzenecarboximidamide
CID 8105874
5-Phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 4099904
2-(1-ethylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]pyrazol-3-amine
CID 71879850
5-(4-Fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 4767498

Frequently Asked Questions

What is the IUPAC name of ethane;1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol?
The IUPAC name of ethane;1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol (CID 142866513) is ethane;1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol.
What is the SMILES notation for ethane;1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol?
The canonical SMILES for ethane;1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol is C=C(O)c1cnn2c1NC(c1ccccc1)CC2C.CC.
What is the InChIKey of ethane;1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol?
The InChIKey is JQYOBWHMUUPJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O.C2H6/c1-10-8-14(12-6-4-3-5-7-12)17-15-13(11(2)19)9-16-18(10)15;1-2/h3-7,9-10,14,17,19H,2,8H2,1H3;1-2H3.
What are the key properties of ethane;1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol?
ethane;1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol has a molecular weight of 285.39 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol is sourced from PubChem (CID 142866513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).