ethane;6-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde

C16H17N3O — CID 143347753

IUPACethane;6-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCC.Cc1cnc2c(C=O)c(-c3ccccc3)nn2c1
InChIInChI=1S/C14H11N3O.C2H6/c1-10-7-15-14-12(9-18)13(16-17(14)8-10)11-5-3-2-4-6-11;1-2/h2-9H,1H3;1-2H3
InChIKeyMIQNUYKDPAZZJE-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.54
Rot. Bonds2

About ethane;6-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde

ethane;6-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 143347753) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is ethane;6-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Nameethane;6-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID143347753
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Nameethane;6-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCC.Cc1cnc2c(C=O)c(-c3ccccc3)nn2c1
InChIInChI=1S/C14H11N3O.C2H6/c1-10-7-15-14-12(9-18)13(16-17(14)8-10)11-5-3-2-4-6-11;1-2/h2-9H,1H3;1-2H3
InChIKeyMIQNUYKDPAZZJE-UHFFFAOYSA-N
XLogP3.54
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-amine
CID 115042609
5-chloro-3-phenyl-1-pyrazin-2-ylpyrazole-4-carbaldehyde
CID 81042710
3,3-dimethyl-N-(6-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-2-yl)butanamide
CID 68752120
5-chloro-1-(2-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
CID 43328214
2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 82271855
1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carbaldehyde
CID 72545568
5-chloro-1,3-diphenylpyrazole-4-carbaldehyde
CID 736659
6-methyl-N-(4-methyl-3-phenyl-1,2-oxazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 134708782
1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
CID 3827316
4-methyl-2,6-diphenylpyrimidine-5-carbaldehyde
CID 14878093
1-methyl-3-(4-phenylphenyl)pyrazole-4-carbaldehyde
CID 43324290
2-bromo-6-(hydroxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 177058249

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of ethane;6-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 143347753) is ethane;6-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for ethane;6-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for ethane;6-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is CC.Cc1cnc2c(C=O)c(-c3ccccc3)nn2c1.
What is the InChIKey of ethane;6-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is MIQNUYKDPAZZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O.C2H6/c1-10-7-15-14-12(9-18)13(16-17(14)8-10)11-5-3-2-4-6-11;1-2/h2-9H,1H3;1-2H3.
What are the key properties of ethane;6-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
ethane;6-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 267.33 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 143347753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).