N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide

C23H16F3N7O — CID 27477328

IUPACN-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(C(F)(F)F)c2)n(-c2ncnc3c2cnn3-c2ccccc2)n1
InChIInChI=1S/C23H16F3N7O/c1-14-10-19(30-22(34)15-6-5-7-16(11-15)23(24,25)26)33(31-14)21-18-12-29-32(20(18)27-13-28-21)17-8-3-2-4-9-17/h2-13H,1H3,(H,30,34)
InChIKeySILZFRYHGKJLQK-UHFFFAOYSA-N
MW463.42 g/mol
LogP4.58
Rot. Bonds4

About N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide

N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide (PubChem CID 27477328) has the molecular formula C23H16F3N7O and a molecular weight of 463.42 g/mol. Its IUPAC name is N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide
PubChem CID27477328
Molecular FormulaC23H16F3N7O
Molecular Weight463.42 g/mol
Exact Mass463.14
IUPAC NameN-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(C(F)(F)F)c2)n(-c2ncnc3c2cnn3-c2ccccc2)n1
InChIInChI=1S/C23H16F3N7O/c1-14-10-19(30-22(34)15-6-5-7-16(11-15)23(24,25)26)33(31-14)21-18-12-29-32(20(18)27-13-28-21)17-8-3-2-4-9-17/h2-13H,1H3,(H,30,34)
InChIKeySILZFRYHGKJLQK-UHFFFAOYSA-N
XLogP4.58
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 18570109
2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide
CID 27477336
4-fluoro-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
CID 16801770
4-methyl-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-nitrobenzamide
CID 41241902
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 43018526
N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenylacetamide
CID 44907616
5-bromo-2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide
CID 41241895
4-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]butanamide
CID 41241884
N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-propylpentanamide
CID 41241858
(2S)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenoxypropanamide
CID 41165397
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]-5-nitrobenzamide
CID 41241905

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide (CID 27477328) is N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide is Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)n(-c2ncnc3c2cnn3-c2ccccc2)n1.
What is the InChIKey of N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is SILZFRYHGKJLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N7O/c1-14-10-19(30-22(34)15-6-5-7-16(11-15)23(24,25)26)33(31-14)21-18-12-29-32(20(18)27-13-28-21)17-8-3-2-4-9-17/h2-13H,1H3,(H,30,34).
What are the key properties of N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide?
N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 463.42 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 27477328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).