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

C15H17N3O — CID 142866514

IUPAC1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol
SMILESC=C(O)c1cnn2c1NC(c1ccccc1)CC2C
InChIInChI=1S/C15H17N3O/c1-10-8-14(12-6-4-3-5-7-12)17-15-13(11(2)19)9-16-18(10)15/h3-7,9-10,14,17,19H,2,8H2,1H3
InChIKeyKCTPRNAJPNGSMT-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.53
Rot. Bonds2

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

1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol (PubChem CID 142866514) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol.

Molecular Properties

Compound Name1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol
PubChem CID142866514
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol
SMILESC=C(O)c1cnn2c1NC(c1ccccc1)CC2C
InChIInChI=1S/C15H17N3O/c1-10-8-14(12-6-4-3-5-7-12)17-15-13(11(2)19)9-16-18(10)15/h3-7,9-10,14,17,19H,2,8H2,1H3
InChIKeyKCTPRNAJPNGSMT-UHFFFAOYSA-N
XLogP3.53
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.53
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

4-methyl-1-(1-phenylethyl)-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135584535
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
[2-[(4,5,6,7-Tetrahydropyrazolo[1,5-a]pyrimidin-6-ylmethylamino)methyl]phenyl]methanol
CID 136263612
5-Phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 4767593
5-Phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 4099904
N-[(2-methylphenyl)methyl]-2-propan-2-ylpyrazol-3-amine
CID 72147415
5-(4-Fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 4767490

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol?
The IUPAC name of 1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol (CID 142866514) is 1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol.
What is the SMILES notation for 1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol?
The canonical SMILES for 1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol is C=C(O)c1cnn2c1NC(c1ccccc1)CC2C.
What is the InChIKey of 1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol?
The InChIKey is KCTPRNAJPNGSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-8-14(12-6-4-3-5-7-12)17-15-13(11(2)19)9-16-18(10)15/h3-7,9-10,14,17,19H,2,8H2,1H3.
What are the key properties of 1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol?
1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol has a molecular weight of 255.32 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethenol is sourced from PubChem (CID 142866514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).