7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine

C19H12Cl3N3 — CID 21083721

IUPAC7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C19H12Cl3N3/c1-11-10-16(22)25-19(23-11)17(12-6-8-13(20)9-7-12)18(24-25)14-4-2-3-5-15(14)21/h2-10H,1H3
InChIKeyMXCJFYKNWPLJKU-UHFFFAOYSA-N
MW388.69 g/mol
LogP6.33
Rot. Bonds2

About 7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine

7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 21083721) has the molecular formula C19H12Cl3N3 and a molecular weight of 388.69 g/mol. Its IUPAC name is 7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID21083721
Molecular FormulaC19H12Cl3N3
Molecular Weight388.69 g/mol
Exact Mass387.01
IUPAC Name7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C19H12Cl3N3/c1-11-10-16(22)25-19(23-11)17(12-6-8-13(20)9-7-12)18(24-25)14-4-2-3-5-15(14)21/h2-10H,1H3
InChIKeyMXCJFYKNWPLJKU-UHFFFAOYSA-N
XLogP6.33
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.69
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2-(2-chlorophenyl)-3-iodo-5-methylpyrazolo[1,5-a]pyrimidine
CID 21083716
7-chloro-3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 4908382
1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-4-(4-fluorophenyl)piperidin-4-ol
CID 10053204
2-(1-benzylpyrrolidin-3-yl)oxy-7-(2-chlorophenyl)-8-(4-chlorophenyl)-4-methylpyrazolo[1,5-a][1,3,5]triazine
CID 10098502
7-chloro-3-(3-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274295
1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
CID 169148065
7-(2-chlorophenyl)-8-(4-chlorophenyl)-2-methyl-4-[(1S,4S)-5-propan-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a][1,3,5]triazine
CID 69208451
7-chloro-2,5-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 45496355
1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-ethoxypiperidine-4-carboxamide
CID 169148084
3-[[7-[3-(2-amino-2-oxoethyl)azetidin-1-yl]-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]propanamide
CID 169148025
4-chloro-2-(2-chlorophenyl)-6-methylpyridine
CID 130356557
(2S)-2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)-7-[6-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol
CID 169148128

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine (CID 21083721) is 7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine is Cc1cc(Cl)n2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is MXCJFYKNWPLJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3N3/c1-11-10-16(22)25-19(23-11)17(12-6-8-13(20)9-7-12)18(24-25)14-4-2-3-5-15(14)21/h2-10H,1H3.
What are the key properties of 7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 388.69 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 21083721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).