7-chloro-5-(4-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine

C13H9Cl2N3 — CID 154540820

IUPAC7-chloro-5-(4-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2c(Cl)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C13H9Cl2N3/c1-8-7-16-18-12(15)6-11(17-13(8)18)9-2-4-10(14)5-3-9/h2-7H,1H3
InChIKeyNEKFPWBKIPVOBM-UHFFFAOYSA-N
MW278.14 g/mol
LogP4.01
Rot. Bonds1

About 7-chloro-5-(4-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine

7-chloro-5-(4-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 154540820) has the molecular formula C13H9Cl2N3 and a molecular weight of 278.14 g/mol. Its IUPAC name is 7-chloro-5-(4-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-(4-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine
PubChem CID154540820
Molecular FormulaC13H9Cl2N3
Molecular Weight278.14 g/mol
Exact Mass277.02
IUPAC Name7-chloro-5-(4-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2c(Cl)cc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C13H9Cl2N3/c1-8-7-16-18-12(15)6-11(17-13(8)18)9-2-4-10(14)5-3-9/h2-7H,1H3
InChIKeyNEKFPWBKIPVOBM-UHFFFAOYSA-N
XLogP4.01
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-5-(3,4-dimethoxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidine
CID 89057831
7-chloro-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride
CID 87767602
7-chloro-5-(2,2-dimethylpropyl)-3-methylpyrazolo[1,5-a]pyrimidine
CID 89365677
7-chloro-3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 104621729
3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 113433503
3-bromo-7-chloro-5-(furan-3-yl)pyrazolo[1,5-a]pyrimidine
CID 21035738
3-butan-2-yl-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine
CID 142869856
5,7-dichloro-3-(4-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine
CID 82274624
1-(7-chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;ethane
CID 142870529
2,6-bis(4-chlorophenyl)-4-(4-methylphenyl)pyridine
CID 101453856
7-chloro-3-ethyl-5-thiophen-3-ylpyrazolo[1,5-a]pyrimidine
CID 22309024
3-(4-chlorophenyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4893000

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(4-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-(4-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine (CID 154540820) is 7-chloro-5-(4-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-(4-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-(4-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine is Cc1cnn2c(Cl)cc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 7-chloro-5-(4-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is NEKFPWBKIPVOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3/c1-8-7-16-18-12(15)6-11(17-13(8)18)9-2-4-10(14)5-3-9/h2-7H,1H3.
What are the key properties of 7-chloro-5-(4-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine?
7-chloro-5-(4-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 278.14 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(4-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 154540820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).