5-chloro-7-phenylpyrazolo[1,5-a]pyrimidine

C12H8ClN3 — CID 23329860

IUPAC5-chloro-7-phenylpyrazolo[1,5-a]pyrimidine
SMILESClc1cc(-c2ccccc2)n2nccc2n1
InChIInChI=1S/C12H8ClN3/c13-11-8-10(9-4-2-1-3-5-9)16-12(15-11)6-7-14-16/h1-8H
InChIKeyBPJXPKAXWAQZLD-UHFFFAOYSA-N
MW229.67 g/mol
LogP3.05
Rot. Bonds1

About 5-chloro-7-phenylpyrazolo[1,5-a]pyrimidine

5-chloro-7-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 23329860) has the molecular formula C12H8ClN3 and a molecular weight of 229.67 g/mol. Its IUPAC name is 5-chloro-7-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID23329860
Molecular FormulaC12H8ClN3
Molecular Weight229.67 g/mol
Exact Mass229.04
IUPAC Name5-chloro-7-phenylpyrazolo[1,5-a]pyrimidine
SMILESClc1cc(-c2ccccc2)n2nccc2n1
InChIInChI=1S/C12H8ClN3/c13-11-8-10(9-4-2-1-3-5-9)16-12(15-11)6-7-14-16/h1-8H
InChIKeyBPJXPKAXWAQZLD-UHFFFAOYSA-N
XLogP3.05
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
2-(4-Chlorobenzylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779676
(R)-Zinc-3573
CID 95882507
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline
CID 68866
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
3-chloro-4-fluoro-5-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)benzonitrile
CID 86280685
5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 21066087
N-[(4-Chlorophenyl)methyl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 228292
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
3-(2-Chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 683376
7-Amino-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819025

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-7-phenylpyrazolo[1,5-a]pyrimidine (CID 23329860) is 5-chloro-7-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-7-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-7-phenylpyrazolo[1,5-a]pyrimidine is Clc1cc(-c2ccccc2)n2nccc2n1.
What is the InChIKey of 5-chloro-7-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is BPJXPKAXWAQZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3/c13-11-8-10(9-4-2-1-3-5-9)16-12(15-11)6-7-14-16/h1-8H.
What are the key properties of 5-chloro-7-phenylpyrazolo[1,5-a]pyrimidine?
5-chloro-7-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 229.67 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 23329860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).