6-(4-methyl-1-propan-2-ylpyrazol-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine

C24H23F3N8 — CID 147466448

IUPAC6-(4-methyl-1-propan-2-ylpyrazol-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
SMILESCc1cnn(C(C)C)c1-c1ncc2cnn(Cc3ccc(-n4nc(C(F)(F)F)cc4C)cc3)c2n1
InChIInChI=1S/C24H23F3N8/c1-14(2)34-21(15(3)10-30-34)22-28-11-18-12-29-33(23(18)31-22)13-17-5-7-19(8-6-17)35-16(4)9-20(32-35)24(25,26)27/h5-12,14H,13H2,1-4H3
InChIKeyFAXKZHLXIVQUQW-UHFFFAOYSA-N
MW480.50 g/mol
LogP5.14
Rot. Bonds5

About 6-(4-methyl-1-propan-2-ylpyrazol-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine

6-(4-methyl-1-propan-2-ylpyrazol-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine (PubChem CID 147466448) has the molecular formula C24H23F3N8 and a molecular weight of 480.50 g/mol. Its IUPAC name is 6-(4-methyl-1-propan-2-ylpyrazol-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-(4-methyl-1-propan-2-ylpyrazol-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
PubChem CID147466448
Molecular FormulaC24H23F3N8
Molecular Weight480.50 g/mol
Exact Mass480.20
IUPAC Name6-(4-methyl-1-propan-2-ylpyrazol-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
SMILESCc1cnn(C(C)C)c1-c1ncc2cnn(Cc3ccc(-n4nc(C(F)(F)F)cc4C)cc3)c2n1
InChIInChI=1S/C24H23F3N8/c1-14(2)34-21(15(3)10-30-34)22-28-11-18-12-29-33(23(18)31-22)13-17-5-7-19(8-6-17)35-16(4)9-20(32-35)24(25,26)27/h5-12,14H,13H2,1-4H3
InChIKeyFAXKZHLXIVQUQW-UHFFFAOYSA-N
XLogP5.14
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.50
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(4-methyl-1-propan-2-ylpyrazol-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-1-propan-2-ylpyrazol-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-(4-methyl-1-propan-2-ylpyrazol-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine (CID 147466448) is 6-(4-methyl-1-propan-2-ylpyrazol-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-(4-methyl-1-propan-2-ylpyrazol-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-(4-methyl-1-propan-2-ylpyrazol-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine is Cc1cnn(C(C)C)c1-c1ncc2cnn(Cc3ccc(-n4nc(C(F)(F)F)cc4C)cc3)c2n1.
What is the InChIKey of 6-(4-methyl-1-propan-2-ylpyrazol-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
The InChIKey is FAXKZHLXIVQUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N8/c1-14(2)34-21(15(3)10-30-34)22-28-11-18-12-29-33(23(18)31-22)13-17-5-7-19(8-6-17)35-16(4)9-20(32-35)24(25,26)27/h5-12,14H,13H2,1-4H3.
What are the key properties of 6-(4-methyl-1-propan-2-ylpyrazol-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine?
6-(4-methyl-1-propan-2-ylpyrazol-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine has a molecular weight of 480.50 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-1-propan-2-ylpyrazol-5-yl)-1-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 147466448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).