4-(2-cyclopropyl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzaldehyde

C22H17N3O — CID 86703037

IUPAC4-(2-cyclopropyl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzaldehyde
SMILESO=Cc1ccc(-c2nc3cc(C4CC4)nn3cc2-c2ccccc2)cc1
InChIInChI=1S/C22H17N3O/c26-14-15-6-8-18(9-7-15)22-19(16-4-2-1-3-5-16)13-25-21(23-22)12-20(24-25)17-10-11-17/h1-9,12-14,17H,10-11H2
InChIKeyLKXXWBCJQWTCJG-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.75
Rot. Bonds4

About 4-(2-cyclopropyl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzaldehyde

4-(2-cyclopropyl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzaldehyde (PubChem CID 86703037) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(2-cyclopropyl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzaldehyde.

Molecular Properties

Compound Name4-(2-cyclopropyl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzaldehyde
PubChem CID86703037
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name4-(2-cyclopropyl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzaldehyde
SMILESO=Cc1ccc(-c2nc3cc(C4CC4)nn3cc2-c2ccccc2)cc1
InChIInChI=1S/C22H17N3O/c26-14-15-6-8-18(9-7-15)22-19(16-4-2-1-3-5-16)13-25-21(23-22)12-20(24-25)17-10-11-17/h1-9,12-14,17H,10-11H2
InChIKeyLKXXWBCJQWTCJG-UHFFFAOYSA-N
XLogP4.75
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.75
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

methyl 5-(4-formylphenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 86630701
4-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)benzaldehyde
CID 86630656
4-[6-phenyl-2-(propan-2-ylamino)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]benzaldehyde
CID 87561545
5-(4-phenoxyphenyl)-6-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957969
7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 87616611
4-[6-phenyl-2-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]benzaldehyde
CID 86703036
4-(2-chloro-4-phenylpyrimidin-5-yl)benzaldehyde
CID 143144222
methyl 7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylate
CID 86703062
2,6-diphenyl-3,5-bis(4-phenylphenyl)pyridine
CID 122233247
6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 25189614
4-imidazo[1,2-a]pyridin-2-ylbenzaldehyde
CID 820963
N-[5-[4-(1-aminocyclobutyl)phenyl]-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]cyclopropanecarboxamide
CID 46927544

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropyl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzaldehyde?
The IUPAC name of 4-(2-cyclopropyl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzaldehyde (CID 86703037) is 4-(2-cyclopropyl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzaldehyde.
What is the SMILES notation for 4-(2-cyclopropyl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzaldehyde?
The canonical SMILES for 4-(2-cyclopropyl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzaldehyde is O=Cc1ccc(-c2nc3cc(C4CC4)nn3cc2-c2ccccc2)cc1.
What is the InChIKey of 4-(2-cyclopropyl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzaldehyde?
The InChIKey is LKXXWBCJQWTCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c26-14-15-6-8-18(9-7-15)22-19(16-4-2-1-3-5-16)13-25-21(23-22)12-20(24-25)17-10-11-17/h1-9,12-14,17H,10-11H2.
What are the key properties of 4-(2-cyclopropyl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzaldehyde?
4-(2-cyclopropyl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzaldehyde has a molecular weight of 339.40 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropyl-6-phenylpyrazolo[1,5-a]pyrimidin-5-yl)benzaldehyde is sourced from PubChem (CID 86703037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).