7-chloro-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine

C15H14ClN3 — CID 4901755

IUPAC7-chloro-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc(Cl)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C15H14ClN3/c1-10(2)13-8-14(16)19-15(18-13)12(9-17-19)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeySKXBEHFKEULETP-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.17
Rot. Bonds2

About 7-chloro-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine

7-chloro-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 4901755) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 7-chloro-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID4901755
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name7-chloro-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc(Cl)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C15H14ClN3/c1-10(2)13-8-14(16)19-15(18-13)12(9-17-19)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeySKXBEHFKEULETP-UHFFFAOYSA-N
XLogP4.17
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.17
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
(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
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
7-Amino-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819025
2-(4-Chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 738354
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
4-[6-(4-Methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329456
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 4901755) is 7-chloro-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine is CC(C)c1cc(Cl)n2ncc(-c3ccccc3)c2n1.
What is the InChIKey of 7-chloro-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is SKXBEHFKEULETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-10(2)13-8-14(16)19-15(18-13)12(9-17-19)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 7-chloro-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
7-chloro-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 271.75 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4901755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).