7-chloro-2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidine

C14H12ClN3 — CID 82274571

IUPAC7-chloro-2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(C)c(-c3ccccc3)c(Cl)n2n1
InChIInChI=1S/C14H12ClN3/c1-9-8-12-16-10(2)13(14(15)18(12)17-9)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyYQUYTYNUCYAGFR-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.67
Rot. Bonds1

About 7-chloro-2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidine

7-chloro-2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 82274571) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 7-chloro-2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID82274571
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name7-chloro-2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(C)c(-c3ccccc3)c(Cl)n2n1
InChIInChI=1S/C14H12ClN3/c1-9-8-12-16-10(2)13(14(15)18(12)17-9)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyYQUYTYNUCYAGFR-UHFFFAOYSA-N
XLogP3.67
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-dichloro-2-methyl-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 104616021
5,7-dichloro-6-phenyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 104621648
5,7-dichloro-2-methyl-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 86630680
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729
7-chloro-2,6-dimethylpyrazolo[1,5-a]pyrimidin-5-amine
CID 58206890
5-chloro-2,6,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 88968275
5,7-dichloro-6-[(2-chlorophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrimidine
CID 82274694
2-tert-butyl-7-chloro-6-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
CID 104846648
N-(2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 157014748
7-chloro-2-methylpyrazolo[1,5-a]pyrimidin-5-amine;2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-amine;phenylboronic acid
CID 160911567
5,7-dichloro-6-phenylpyrazolo[1,5-a]pyrimidine
CID 59427807
N-(2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidin-7-yl)oxolane-3-carboxamide
CID 155915695

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidine (CID 82274571) is 7-chloro-2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidine is Cc1cc2nc(C)c(-c3ccccc3)c(Cl)n2n1.
What is the InChIKey of 7-chloro-2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is YQUYTYNUCYAGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-9-8-12-16-10(2)13(14(15)18(12)17-9)11-6-4-3-5-7-11/h3-8H,1-2H3.
What are the key properties of 7-chloro-2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidine?
7-chloro-2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 257.72 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,5-dimethyl-6-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82274571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).