N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-(trifluoromethyl)benzamide

C23H15ClF3N7O — CID 18570109

IUPACN-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-(trifluoromethyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(C(F)(F)F)c2)n(-c2ncnc3c2cnn3-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H15ClF3N7O/c1-13-9-19(31-22(35)14-3-2-4-15(10-14)23(25,26)27)34(32-13)21-18-11-30-33(20(18)28-12-29-21)17-7-5-16(24)6-8-17/h2-12H,1H3,(H,31,35)
InChIKeyIXZWULPAABSZBR-UHFFFAOYSA-N
MW497.87 g/mol
LogP5.23
Rot. Bonds4

About N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-(trifluoromethyl)benzamide

N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-(trifluoromethyl)benzamide (PubChem CID 18570109) has the molecular formula C23H15ClF3N7O and a molecular weight of 497.87 g/mol. Its IUPAC name is N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-(trifluoromethyl)benzamide
PubChem CID18570109
Molecular FormulaC23H15ClF3N7O
Molecular Weight497.87 g/mol
Exact Mass497.10
IUPAC NameN-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-(trifluoromethyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(C(F)(F)F)c2)n(-c2ncnc3c2cnn3-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H15ClF3N7O/c1-13-9-19(31-22(35)14-3-2-4-15(10-14)23(25,26)27)34(32-13)21-18-11-30-33(20(18)28-12-29-21)17-7-5-16(24)6-8-17/h2-12H,1H3,(H,31,35)
InChIKeyIXZWULPAABSZBR-UHFFFAOYSA-N
XLogP5.23
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.87
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 27477328
2,5-dichloro-N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
CID 41242034
2-bromo-N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
CID 41242026
4-fluoro-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
CID 16801770
N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propanamide
CID 18570073
3-chloro-N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
CID 27542909
2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide
CID 27477336
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 43018526
N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]pentanamide
CID 18570076
N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(3-methoxyphenoxy)acetamide
CID 18570113
5-bromo-2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide
CID 41241895
4-methyl-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-nitrobenzamide
CID 41241902

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-(trifluoromethyl)benzamide (CID 18570109) is N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-(trifluoromethyl)benzamide is Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)n(-c2ncnc3c2cnn3-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is IXZWULPAABSZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N7O/c1-13-9-19(31-22(35)14-3-2-4-15(10-14)23(25,26)27)34(32-13)21-18-11-30-33(20(18)28-12-29-21)17-7-5-16(24)6-8-17/h2-12H,1H3,(H,31,35).
What are the key properties of N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-(trifluoromethyl)benzamide?
N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 497.87 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 18570109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).