7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde

C19H12ClN3O — CID 164946401

IUPAC7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde
SMILESO=Cc1cc(-c2ccc(Cl)cc2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C19H12ClN3O/c20-15-8-6-14(7-9-15)18-10-16(12-24)21-19-11-17(22-23(18)19)13-4-2-1-3-5-13/h1-12H
InChIKeySVXCZZHFCBXPQI-UHFFFAOYSA-N
MW333.78 g/mol
LogP4.53
Rot. Bonds3

About 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde

7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde (PubChem CID 164946401) has the molecular formula C19H12ClN3O and a molecular weight of 333.78 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde
PubChem CID164946401
Molecular FormulaC19H12ClN3O
Molecular Weight333.78 g/mol
Exact Mass333.07
IUPAC Name7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde
SMILESO=Cc1cc(-c2ccc(Cl)cc2)n2nc(-c3ccccc3)cc2n1
InChIInChI=1S/C19H12ClN3O/c20-15-8-6-14(7-9-15)18-10-16(12-24)21-19-11-17(22-23(18)19)13-4-2-1-3-5-13/h1-12H
InChIKeySVXCZZHFCBXPQI-UHFFFAOYSA-N
XLogP4.53
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 54.53
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

5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine
CID 2900694
5,7-bis(4-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 122364244
2-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 46079483
7-(4-fluorophenyl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 12531785
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729
2,4-bis(4-chlorophenyl)-6-phenylpyridine
CID 3640020
1-tert-butyl-5-(4-chlorophenyl)-3-phenylpyrazole
CID 71661394
3-(4-chlorophenyl)-2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 3802120
7-(4-chlorophenyl)-4-N-phenylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 11089014
5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde
CID 54077138
2-(7-chloro-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271662
5-(4-chlorophenyl)-2-methylpyrazolo[5,1-a]isoquinoline-1-carbaldehyde
CID 102203143

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde?
The IUPAC name of 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde (CID 164946401) is 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde?
The canonical SMILES for 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde is O=Cc1cc(-c2ccc(Cl)cc2)n2nc(-c3ccccc3)cc2n1.
What is the InChIKey of 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde?
The InChIKey is SVXCZZHFCBXPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O/c20-15-8-6-14(7-9-15)18-10-16(12-24)21-19-11-17(22-23(18)19)13-4-2-1-3-5-13/h1-12H.
What are the key properties of 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde?
7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde has a molecular weight of 333.78 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 164946401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).