5-tert-butyl-3-(2-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine

C22H24ClN5 — CID 4971379

IUPAC5-tert-butyl-3-(2-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n(-c2cc(C(C)(C)C)nc3c(-c4ccccc4Cl)c(C)nn23)n1
InChIInChI=1S/C22H24ClN5/c1-13-11-14(2)27(25-13)19-12-18(22(4,5)6)24-21-20(15(3)26-28(19)21)16-9-7-8-10-17(16)23/h7-12H,1-6H3
InChIKeyUFEWIGKQJRUVNG-UHFFFAOYSA-N
MW393.92 g/mol
LogP5.46
Rot. Bonds2

About 5-tert-butyl-3-(2-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine

5-tert-butyl-3-(2-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 4971379) has the molecular formula C22H24ClN5 and a molecular weight of 393.92 g/mol. Its IUPAC name is 5-tert-butyl-3-(2-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-3-(2-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID4971379
Molecular FormulaC22H24ClN5
Molecular Weight393.92 g/mol
Exact Mass393.17
IUPAC Name5-tert-butyl-3-(2-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n(-c2cc(C(C)(C)C)nc3c(-c4ccccc4Cl)c(C)nn23)n1
InChIInChI=1S/C22H24ClN5/c1-13-11-14(2)27(25-13)19-12-18(22(4,5)6)24-21-20(15(3)26-28(19)21)16-9-7-8-10-17(16)23/h7-12H,1-6H3
InChIKeyUFEWIGKQJRUVNG-UHFFFAOYSA-N
XLogP5.46
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.92
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-tert-butyl-3-(2-chlorophenyl)-2-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 4970854
5-tert-butyl-3-(4-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 3818168
5-tert-butyl-3-(2-chlorophenyl)-N-(2-methoxyethyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4870041
7-chloro-3-(2-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 4908382
5-tert-butyl-N-(4-butylphenyl)-3-(2-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4893673
3-(4-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidine
CID 4969997
5,7-dichloro-6-(2-chlorophenyl)-2,3-dimethylpyrazolo[1,5-a]pyrimidine
CID 104621709
3-(2-bromophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 82274167
3-(2-chlorophenyl)-2-methyl-7-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 137481079
7-(4-benzylpiperazin-1-yl)-5-tert-butyl-3-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine
CID 4972048
3-(2-chlorophenyl)-7-(4-ethylpiperazin-1-yl)-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 20895270
3-[3-(2-chlorophenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 71563426

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(2-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-tert-butyl-3-(2-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine (CID 4971379) is 5-tert-butyl-3-(2-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-tert-butyl-3-(2-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-tert-butyl-3-(2-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine is Cc1cc(C)n(-c2cc(C(C)(C)C)nc3c(-c4ccccc4Cl)c(C)nn23)n1.
What is the InChIKey of 5-tert-butyl-3-(2-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is UFEWIGKQJRUVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5/c1-13-11-14(2)27(25-13)19-12-18(22(4,5)6)24-21-20(15(3)26-28(19)21)16-9-7-8-10-17(16)23/h7-12H,1-6H3.
What are the key properties of 5-tert-butyl-3-(2-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine?
5-tert-butyl-3-(2-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 393.92 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(2-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4971379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).