lithium;7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethane;ethyl 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;hydroxide

C44H43Cl2LiN8O5 — CID 159491711

IUPAClithium;7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethane;ethyl 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;hydroxide
SMILESCC.CC.CCOC(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(Nc3ccccc3)n2n1.O=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(Nc3ccccc3)n2n1.[Li+].[OH-]
InChIInChI=1S/C21H17ClN4O2.C19H13ClN4O2.2C2H6.Li.H2O/c1-2-28-21(27)18-13-20-24-17(14-8-10-15(22)11-9-14)12-19(26(20)25-18)23-16-6-4-3-5-7-16;20-13-8-6-12(7-9-13)15-10-17(21-14-4-2-1-3-5-14)24-18(22-15)11-16(23-24)19(25)26;2*1-2;;/h3-13,23H,2H2,1H3;1-11,21H,(H,25,26);2*1-2H3;;1H2/q;;;;+1;/p-1
InChIKeyLYGSXBCLESUJCV-UHFFFAOYSA-M
MW841.73 g/mol
LogP8.34
Rot. Bonds9

About lithium;7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethane;ethyl 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;hydroxide

lithium;7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethane;ethyl 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;hydroxide (PubChem CID 159491711) has the molecular formula C44H43Cl2LiN8O5 and a molecular weight of 841.73 g/mol. Its IUPAC name is lithium;7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethane;ethyl 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;hydroxide.

Molecular Properties

Compound Namelithium;7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethane;ethyl 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;hydroxide
PubChem CID159491711
Molecular FormulaC44H43Cl2LiN8O5
Molecular Weight841.73 g/mol
Exact Mass840.29
IUPAC Namelithium;7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethane;ethyl 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;hydroxide
SMILESCC.CC.CCOC(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(Nc3ccccc3)n2n1.O=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(Nc3ccccc3)n2n1.[Li+].[OH-]
InChIInChI=1S/C21H17ClN4O2.C19H13ClN4O2.2C2H6.Li.H2O/c1-2-28-21(27)18-13-20-24-17(14-8-10-15(22)11-9-14)12-19(26(20)25-18)23-16-6-4-3-5-7-16;20-13-8-6-12(7-9-13)15-10-17(21-14-4-2-1-3-5-14)24-18(22-15)11-16(23-24)19(25)26;2*1-2;;/h3-13,23H,2H2,1H3;1-11,21H,(H,25,26);2*1-2H3;;1H2/q;;;;+1;/p-1
InChIKeyLYGSXBCLESUJCV-UHFFFAOYSA-M
XLogP8.34
TPSA178.04 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500841.73
LogP ≤ 58.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze lithium;7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethane;ethyl 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;hydroxide with MolForge

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Related Compounds

Ethyl 7-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 15957531
5-(4-Chlorophenyl)-7-[(4-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 10024709
5-(4-Chlorophenyl)-7-[(2-chlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 10047342
Ethyl 5,7-bis(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 10364333
Ethyl 7-(2-chlorophenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 10429700
5-(4-Chlorophenyl)-7-morpholino-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 10451059
7-(Benzylamino)-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 10474820
5-(4-Chlorophenyl)-7-(4-morpholinoanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 10478907
7-Anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 11726315
Ethyl 5-(4-chlorophenyl)-7-phenyl-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 11740349
5-(4-chlorophenyl)-7-(N-methylanilino)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 11740420
Ethyl 7-(4-chlorophenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 15957538

Frequently Asked Questions

What is the IUPAC name of lithium;7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethane;ethyl 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;hydroxide?
The IUPAC name of lithium;7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethane;ethyl 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;hydroxide (CID 159491711) is lithium;7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethane;ethyl 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;hydroxide.
What is the SMILES notation for lithium;7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethane;ethyl 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;hydroxide?
The canonical SMILES for lithium;7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethane;ethyl 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;hydroxide is CC.CC.CCOC(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(Nc3ccccc3)n2n1.O=C(O)c1cc2nc(-c3ccc(Cl)cc3)cc(Nc3ccccc3)n2n1.[Li+].[OH-].
What is the InChIKey of lithium;7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethane;ethyl 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;hydroxide?
The InChIKey is LYGSXBCLESUJCV-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H17ClN4O2.C19H13ClN4O2.2C2H6.Li.H2O/c1-2-28-21(27)18-13-20-24-17(14-8-10-15(22)11-9-14)12-19(26(20)25-18)23-16-6-4-3-5-7-16;20-13-8-6-12(7-9-13)15-10-17(21-14-4-2-1-3-5-14)24-18(22-15)11-16(23-24)19(25)26;2*1-2;;/h3-13,23H,2H2,1H3;1-11,21H,(H,25,26);2*1-2H3;;1H2/q;;;;+1;/p-1.
What are the key properties of lithium;7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethane;ethyl 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;hydroxide?
lithium;7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethane;ethyl 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;hydroxide has a molecular weight of 841.73 g/mol, XLogP of 8.34, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid;ethane;ethyl 7-anilino-5-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate;hydroxide is sourced from PubChem (CID 159491711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).