7-(1,3-dihydroisoindol-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine

C20H16N4 — CID 70704851

IUPAC7-(1,3-dihydroisoindol-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2cc(N3Cc4ccccc4C3)n3nccc3n2)cc1
InChIInChI=1S/C20H16N4/c1-2-6-15(7-3-1)18-12-20(24-19(22-18)10-11-21-24)23-13-16-8-4-5-9-17(16)14-23/h1-12H,13-14H2
InChIKeyFYCKMKKLEVBJTM-UHFFFAOYSA-N
MW312.38 g/mol
LogP3.92
Rot. Bonds2

About 7-(1,3-dihydroisoindol-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine

7-(1,3-dihydroisoindol-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 70704851) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 7-(1,3-dihydroisoindol-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1,3-dihydroisoindol-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID70704851
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name7-(1,3-dihydroisoindol-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
SMILESc1ccc(-c2cc(N3Cc4ccccc4C3)n3nccc3n2)cc1
InChIInChI=1S/C20H16N4/c1-2-6-15(7-3-1)18-12-20(24-19(22-18)10-11-21-24)23-13-16-8-4-5-9-17(16)14-23/h1-12H,13-14H2
InChIKeyFYCKMKKLEVBJTM-UHFFFAOYSA-N
XLogP3.92
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 154842512
7-[(3R)-3-methoxypyrrolidin-1-yl]-5-phenylpyrazolo[1,5-a]pyrimidine
CID 95861445
7-(4-methylsulfonylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 56883180
1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-ol
CID 170782938
(3R)-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol
CID 175519459
2-methyl-7-(4-methylpiperazin-1-yl)-5-phenylpyrazolo[1,5-a]pyrimidine
CID 170092679
4-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)naphthalen-1-ol
CID 136810727
5-(4-fluorophenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 56886372
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70734186
1-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-2-ol
CID 56884548
7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 71200006
(3S)-3-phenyl-3-[(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 95885389

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-dihydroisoindol-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1,3-dihydroisoindol-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine (CID 70704851) is 7-(1,3-dihydroisoindol-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1,3-dihydroisoindol-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1,3-dihydroisoindol-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine is c1ccc(-c2cc(N3Cc4ccccc4C3)n3nccc3n2)cc1.
What is the InChIKey of 7-(1,3-dihydroisoindol-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is FYCKMKKLEVBJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-2-6-15(7-3-1)18-12-20(24-19(22-18)10-11-21-24)23-13-16-8-4-5-9-17(16)14-23/h1-12H,13-14H2.
What are the key properties of 7-(1,3-dihydroisoindol-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine?
7-(1,3-dihydroisoindol-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 312.38 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-dihydroisoindol-2-yl)-5-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 70704851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).